143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.140226294906
  N      -3.169582     -3.574849      2.207176
  C      -3.123799     -4.546821      1.144731
  C      -2.567440     -5.853908      1.711988
  N      -3.347672     -6.219032      2.890651
  C      -4.535464     -6.965873      2.513563
  C      -5.582915     -6.838646      3.617250
  N      -5.782773     -5.453379      3.991275
  Mo     -4.011120     -4.404663      3.865310
  N      -2.727455     -5.050085      5.302658
  C      -1.770274     -5.941040      4.702855
  C      -2.530424     -6.955470      3.849873
  H      -1.161114     -6.495055      5.418854
  H      -1.072508     -5.379065      4.059114
  H      -3.184367     -7.506322      4.527590
  H      -1.856829     -7.660864      3.339900
  H      -6.495795     -7.318374      3.240660
  H      -5.258203     -7.426201      4.495693
  H      -4.947653     -6.514485      1.607392
  H      -4.298602     -8.022821      2.309050
  H      -2.508460     -4.234733      0.298992
  H      -4.131367     -4.735071      0.732813
  H      -1.536446     -5.671730      2.024395
  H      -2.572440     -6.663314      0.966015
  C      -0.237404     -1.250543     -3.469064
  C      -0.961571     -1.005934     -2.151191
  C      -1.857450     -2.200239     -1.782809
  N      -2.624728     -2.098920     -0.558158
  C      -3.633015     -1.063029     -0.557826
  C      -4.553431     -1.308520      0.628622
  C      -3.778218     -1.224142      1.938627
  C      -2.615161     -2.251635      1.960418
  C      -1.649350     -1.967777      3.158984
  C      -1.228592     -0.500076      3.384098
  C       0.253179     -0.543043      3.760212
  C       0.783714     -1.703263      2.927065
  C      -0.316304     -2.749358      3.085905
  C      -1.819878     -2.035682      0.646591
  C     -10.577806     -0.258231      5.912704
  C     -10.284259     -1.754257      5.901808
  C      -8.822254     -2.031061      5.548726
  N      -8.572241     -3.435736      5.289287
  C      -8.725900     -4.254974      6.481469
  C      -8.075713     -5.624515      6.281621
  C      -8.108697     -5.994488      4.806477
  C      -7.181463     -5.050238      3.989488
  C      -7.718725     -4.986727      2.522007
  C      -9.143143     -4.415123      2.383805
  C      -9.108258     -3.547470      1.126780
  C      -7.708333     -2.943958      1.158133
  C      -6.831994     -4.110786      1.617348
  C      -7.279467     -3.668057      4.663461
  C      -1.426704     -9.923965      9.705475
  C      -1.994039     -8.564278      9.318235
  C      -2.266814     -8.481380      7.805779
  N      -2.908416     -7.275557      7.329564
  C      -4.322188     -7.156954      7.670115
  C      -4.662424     -5.768757      8.194098
  C      -4.210575     -4.719848      7.184008
  C      -2.723665     -4.873783      6.746626
  C      -1.927040     -3.574779      7.106335
  C      -2.169941     -2.960951      8.504381
  C      -0.831746     -2.339326      8.947465
  C       0.062386     -2.396533      7.708866
  C      -0.399293     -3.679019      7.027643
  C      -2.148362     -6.064526      7.552581
  H       0.396104     -0.402498     -3.720700
  H      -0.953207     -1.396559     -4.275642
  H       0.387710     -2.138898     -3.401665
  H      -1.573599     -0.105340     -2.235440
  H      -0.227333     -0.842857     -1.359302
  H      -2.574308     -2.366091     -2.594096
  H      -1.232444     -3.097170     -1.705337
  H      -3.193382     -0.050185     -0.481187
  H      -4.194338     -1.122834     -1.494467
  H      -5.366080     -0.578919      0.626090
  H      -4.975673     -2.306878      0.532603
  H      -3.405961     -0.206437      2.065892
  H      -4.454551     -1.465328      2.759020
  H      -2.195385     -2.354810      4.026462
  H      -1.334916      0.078332      2.465430
  H      -1.827667     -0.010258      4.152444
  H       0.761946      0.399010      3.554502
  H       0.369391     -0.773355      4.820283
  H       0.882804     -1.400108      1.883414
  H       1.752600     -2.063484      3.273427
  H      -0.163487     -3.272756      4.029278
  H      -0.309472     -3.497369      2.296483
  H      -1.023739     -2.774686      0.548251
  H      -1.340155     -1.045956      0.734796
  H      -9.942545      0.250146      6.635684
  H     -10.396202      0.175488      4.931521
  H     -11.615856     -0.077494      6.181529
  H     -10.515431     -2.172466      6.882535
  H     -10.918182     -2.251190      5.165412
  H      -8.173574     -1.643322      6.359809
  H      -8.582682     -1.478715      4.635062
  H      -9.797618     -4.379491      6.663009
  H      -8.286720     -3.756968      7.366769
  H      -7.036175     -5.608744      6.607321
  H      -8.604830     -6.371525      6.877003
  H      -7.816153     -7.036277      4.688075
  H      -9.130048     -5.889661      4.442605
  H      -7.713532     -6.013116      2.140503
  H      -9.892224     -5.203588      2.302806
  H      -9.379730     -3.804722      3.253300
  H      -9.221563     -4.168802      0.235400
  H      -9.894971     -2.792635      1.119730
  H      -7.675847     -2.125799      1.878980
  H      -7.402759     -2.552620      0.188139
  H      -5.927683     -3.795913      2.162075
  H      -6.518130     -4.682195      0.740956
  H      -6.472878     -3.620426      5.406830
  H      -7.116865     -2.895093      3.913625
  H      -2.128695    -10.716903      9.454799
  H      -1.228357     -9.965607     10.774589
  H      -0.495164    -10.112138      9.175256
  H      -2.923022     -8.387821      9.866060
  H      -1.285684     -7.782729      9.601597
  H      -1.315295     -8.581511      7.271227
  H      -2.900153     -9.323689      7.509786
  H      -4.614682     -7.915480      8.406385
  H      -4.907794     -7.336695      6.756629
  H      -4.190314     -5.608136      9.166576
  H      -5.741310     -5.697790      8.349301
  H      -4.788401     -4.845841      6.258027
  H      -4.402950     -3.730605      7.603087
  H      -2.230205     -2.841444      6.349306
  H      -2.490185     -3.719012      9.217859
  H      -2.948330     -2.197919      8.468147
  H      -0.956276     -1.322259      9.318597
  H      -0.386247     -2.933282      9.747177
  H       1.123054     -2.406372      7.959099
  H      -0.132801     -1.538614      7.063240
  H      -0.033362     -4.529603      7.602202
  H      -0.044646     -3.775739      6.004348
  H      -2.118017     -5.766834      8.613509
  H      -1.118010     -6.277628      7.267720
  N      -4.680588     -2.617522      4.811270
  H      -5.512442     -2.226548      4.371362
  H      -3.980453     -1.877298      4.795756
  H      -4.920496     -2.756663      5.791803
  N      -5.517273     -3.502206      2.659501
  N      -6.521375     -2.900569      1.855628
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.310670169461
  N      -3.154256     -3.546500      2.193632
  C      -3.117720     -4.523645      1.132733
  C      -2.580985     -5.835059      1.702404
  N      -3.366535     -6.192231      2.884585
  C      -4.565408     -6.931974      2.514101
  C      -5.605792     -6.797429      3.624639
  N      -5.803582     -5.408855      3.999335
  Mo     -4.015885     -4.364542      3.859502
  N      -2.726705     -5.028800      5.289306
  C      -1.776636     -5.931388      4.687667
  C      -2.550087     -6.938803      3.841676
  H      -1.169663     -6.490874      5.403582
  H      -1.073831     -5.378963      4.039919
  H      -3.206749     -7.483928      4.523071
  H      -1.886255     -7.651314      3.326850
  H      -6.523157     -7.273865      3.252611
  H      -5.279861     -7.388129      4.501807
  H      -4.979370     -6.480832      1.607362
  H      -4.335573     -7.991423      2.310156
  H      -2.495834     -4.221637      0.287096
  H      -4.127622     -4.700013      0.716844
  H      -1.547485     -5.663790      2.015838
  H      -2.594460     -6.647132      0.958012
  C      -0.101318     -1.322268     -3.467235
  C      -0.836554     -1.050878     -2.159390
  C      -1.768326     -2.219170     -1.794803
  N      -2.549109     -2.091101     -0.579193
  C      -3.530967     -1.028133     -0.596788
  C      -4.471272     -1.241310      0.580560
  C      -3.708680     -1.169874      1.900652
  C      -2.572695     -2.228560      1.942796
  C      -1.610750     -1.952291      3.147794
  C      -1.162771     -0.489235      3.360939
  C       0.316385     -0.555974      3.749187
  C       0.830883     -1.736458      2.932147
  C      -0.291069     -2.760772      3.093140
  C      -1.758295     -2.040244      0.636305
  C     -10.763320     -0.353621      5.985639
  C     -10.425352     -1.841243      5.961178
  C      -8.957049     -2.073282      5.600356
  N      -8.664252     -3.468153      5.327803
  C      -8.788476     -4.300024      6.515894
  C      -8.093532     -5.645198      6.303361
  C      -8.116557     -6.002972      4.824412
  C      -7.220085     -5.029036      4.003340
  C      -7.783098     -4.983333      2.536953
  C      -9.226308     -4.441889      2.413507
  C      -9.236819     -3.587913      1.144065
  C      -7.847377     -2.944608      1.138642
  C      -6.922662     -4.106866      1.605964
  C      -7.365954     -3.656334      4.696339
  C      -1.410984     -9.923422      9.671184
  C      -1.975966     -8.558994      9.292485
  C      -2.263508     -8.469658      7.782859
  N      -2.904548     -7.258022      7.315419
  C      -4.316163     -7.132837      7.671194
  C      -4.643083     -5.742412      8.202166
  C      -4.196057     -4.691211      7.190866
  C      -2.712027     -4.854017      6.737882
  C      -1.903334     -3.562620      7.098216
  C      -2.133399     -2.954984      8.502796
  C      -0.786716     -2.344185      8.941247
  C       0.099701     -2.400461      7.695105
  C      -0.375838     -3.676411      7.008406
  C      -2.135748     -6.050400      7.533974
  H       0.558768     -0.491713     -3.716881
  H      -0.810981     -1.455042     -4.284186
  H       0.500700     -2.227829     -3.387090
  H      -1.424540     -0.133931     -2.256617
  H      -0.108046     -0.900547     -1.357619
  H      -2.479440     -2.371303     -2.615709
  H      -1.167351     -3.133068     -1.705199
  H      -3.064801     -0.025546     -0.520900
  H      -4.083094     -1.078386     -1.540980
  H      -5.265420     -0.489525      0.563959
  H      -4.920071     -2.228569      0.484289
  H      -3.309562     -0.160085      2.025574
  H      -4.400784     -1.385227      2.715350
  H      -2.171308     -2.317623      4.016280
  H      -1.251373      0.081261      2.433677
  H      -1.760026      0.021760      4.119035
  H       0.845537      0.375354      3.537490
  H       0.421024     -0.776828      4.813946
  H       0.943432     -1.445928      1.884463
  H       1.792020     -2.111824      3.288927
  H      -0.155709     -3.278599      4.043994
  H      -0.293193     -3.518598      2.310815
  H      -0.976254     -2.798451      0.554108
  H      -1.255215     -1.060882      0.725518
  H     -10.139837      0.169084      6.711635
  H     -10.598197      0.094545      5.005812
  H     -11.806918     -0.204539      6.260058
  H     -10.640821     -2.274962      6.940523
  H     -11.048198     -2.352100      5.222458
  H      -8.316242     -1.672500      6.413228
  H      -8.736092     -1.505332      4.689764
  H      -9.856191     -4.460439      6.700479
  H      -8.362569     -3.792986      7.404352
  H      -7.053792     -5.597749      6.628350
  H      -8.596260     -6.415320      6.894465
  H      -7.792444     -7.035744      4.696209
  H      -9.142942     -5.928452      4.462321
  H      -7.763356     -6.013588      2.163227
  H      -9.958799     -5.249479      2.352142
  H      -9.465098     -3.827405      3.281537
  H      -9.351207     -4.225231      0.261415
  H     -10.045581     -2.853329      1.142567
  H      -7.845169     -2.106254      1.846042
  H      -7.572537     -2.558085      0.153283
  H      -6.000816     -3.790064      2.128972
  H      -6.617008     -4.680278      0.725384
  H      -6.563969     -3.593021      5.443525
  H      -7.228301     -2.866136      3.959919
  H      -2.120159    -10.714134      9.425089
  H      -1.201603     -9.970008     10.739838
  H      -0.483933    -10.115938      9.130577
  H      -2.900043     -8.379237      9.850527
  H      -1.261259     -7.779834      9.572086
  H      -1.316465     -8.573586      7.238111
  H      -2.903613     -9.309849      7.490098
  H      -4.604661     -7.891873      8.410214
  H      -4.913888     -7.310775      6.764004
  H      -4.159249     -5.586962      9.171272
  H      -5.721072     -5.665644      8.369804
  H      -4.787118     -4.812054      6.272087
  H      -4.378866     -3.700391      7.614454
  H      -2.207691     -2.822221      6.347072
  H      -2.454882     -3.716324      9.214855
  H      -2.908974     -2.186730      8.476069
  H      -0.901657     -1.327273      9.320310
  H      -0.339350     -2.946583      9.735641
  H       1.163605     -2.418470      7.938090
  H      -0.094121     -1.535947      7.055462
  H      -0.011610     -4.534301      7.576718
  H      -0.027556     -3.770740      5.980749
  H      -2.093396     -5.754902      8.596299
  H      -1.107717     -6.267491      7.238641
  N      -4.598547     -2.548029      4.829847
  H      -5.422309     -2.122345      4.407750
  H      -3.867257     -1.835723      4.807052
  H      -4.824363     -2.681520      5.816082
  N      -5.540766     -3.460254      2.671746
  N      -6.601747     -2.873131      1.842074
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.432005713001
  N      -3.136816     -3.531048      2.184780
  C      -3.104175     -4.511780      1.122916
  C      -2.582328     -5.827067      1.693302
  N      -3.375080     -6.182783      2.877972
  C      -4.582422     -6.920779      2.510748
  C      -5.619306     -6.784506      3.625522
  N      -5.818314     -5.391326      3.998983
  Mo     -4.021399     -4.343852      3.851873
  N      -2.728363     -5.021253      5.279076
  C      -1.778047     -5.932010      4.678500
  C      -2.557445     -6.936111      3.836582
  H      -1.173155     -6.494077      5.396683
  H      -1.069847     -5.386384      4.029538
  H      -3.216488     -7.479511      4.519083
  H      -1.898646     -7.652119      3.317869
  H      -6.538197     -7.260686      3.255170
  H      -5.292348     -7.378267      4.501934
  H      -4.997674     -6.470017      1.602782
  H      -4.354221     -7.981480      2.306311
  H      -2.474936     -4.215805      0.279282
  H      -4.115135     -4.678794      0.700426
  H      -1.547406     -5.663516      2.010116
  H      -2.600021     -6.640854      0.949163
  C      -0.024730     -1.351848     -3.464367
  C      -0.766003     -1.067389     -2.161035
  C      -1.716880     -2.221624     -1.799034
  N      -2.504675     -2.080800     -0.586868
  C      -3.474041     -1.003401     -0.610956
  C      -4.423173     -1.201241      0.562630
  C      -3.664538     -1.139328      1.886582
  C      -2.541047     -2.213189      1.937581
  C      -1.579114     -1.939994      3.145716
  C      -1.118706     -0.477995      3.354253
  C       0.360387     -0.554683      3.747383
  C       0.867653     -1.744798      2.936482
  C      -0.264225     -2.760564      3.098367
  C      -1.718980     -2.038712      0.634149
  C     -10.832996     -0.381869      6.024191
  C     -10.479338     -1.867135      5.996180
  C      -9.011587     -2.085556      5.623167
  N      -8.703286     -3.477578      5.347254
  C      -8.808767     -4.313224      6.537416
  C      -8.095677     -5.648740      6.317080
  C      -8.122659     -6.008297      4.836989
  C      -7.247268     -5.021319      4.005841
  C      -7.835495     -4.992151      2.538624
  C      -9.297122     -4.481206      2.422909
  C      -9.352593     -3.646316      1.139778
  C      -7.979173     -2.957779      1.101472
  C      -6.998444     -4.113465      1.583419
  C      -7.405885     -3.648275      4.704670
  C      -1.397270     -9.923836      9.656309
  C      -1.964167     -8.557687      9.280808
  C      -2.260265     -8.465681      7.772750
  N      -2.903882     -7.251507      7.308866
  C      -4.315938     -7.124995      7.673953
  C      -4.637080     -5.732621      8.207859
  C      -4.194717     -4.678987      7.195447
  C      -2.710224     -4.845295      6.733298
  C      -1.895775     -3.557436      7.093976
  C      -2.120541     -2.952321      8.502660
  C      -0.768894     -2.345287      8.939140
  C       0.114700     -2.401249      7.688352
  C      -0.367541     -3.674682      6.998553
  C      -2.131859     -6.043533      7.523867
  H       0.650571     -0.530312     -3.713210
  H      -0.731367     -1.477181     -4.288462
  H       0.565490     -2.267686     -3.378978
  H      -1.341401     -0.140898     -2.263824
  H      -0.040373     -0.923235     -1.352883
  H      -2.425314     -2.366081     -2.626012
  H      -1.128503     -3.145465     -1.704880
  H      -2.993541     -0.005612     -0.534529
  H      -4.022277     -1.047053     -1.559669
  H      -5.207799     -0.437022      0.541725
  H      -4.890066     -2.182086      0.466512
  H      -3.250783     -0.133265      2.013062
  H      -4.364188     -1.342387      2.699521
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  H      -1.200742      0.089188      2.422195
  H      -1.716408      0.043308      4.107749
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  H       0.985394     -1.459176      1.885747
  H       1.827208     -2.127017      3.296374
  H      -0.135757     -3.276895      4.053023
  H      -0.271029     -3.523958      2.318668
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  H      -1.200931     -1.065652      0.725500
  H     -10.208284      0.149273      6.746725
  H     -10.680292      0.070134      5.041312
  H     -11.877938     -0.241823      6.307576
  H     -10.683195     -2.304449      6.978702
  H     -11.104197     -2.386093      5.261773
  H      -8.367672     -1.677612      6.432373
  H      -8.801759     -1.513333      4.710445
  H      -9.874045     -4.488576      6.731837
  H      -8.382530     -3.799942      7.424418
  H      -7.053414     -5.583953      6.636194
  H      -8.580986     -6.427691      6.914052
  H      -7.783125     -7.037558      4.706611
  H      -9.154164     -5.951752      4.480098
  H      -7.798622     -6.025432      2.170234
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  H      -9.543035     -3.861730      3.287833
  H      -9.463716     -4.302538      0.267151
  H     -10.185683     -2.935498      1.140742
  H      -8.021490     -2.100905      1.789146
  H      -7.732627     -2.580440      0.101802
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  H      -6.693462     -4.687539      0.699266
  H      -6.598928     -3.575848      5.449951
  H      -7.282838     -2.851576      3.971302
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  H      -1.181076     -9.972936     10.725798
  H      -0.471164    -10.118280      9.109652
  H      -2.886844     -8.377412      9.844817
  H      -1.247987     -7.776682      9.558716
  H      -1.314617     -8.570635      7.221984
  H      -2.902076     -9.307532      7.481736
  H      -4.600112     -7.884378      8.416425
  H      -4.922392     -7.305969      6.771524
  H      -4.146300     -5.578559      9.175656
  H      -5.715442     -5.653868      8.383231
  H      -4.796045     -4.798602      6.282367
  H      -4.373774     -3.686165      7.620770
  H      -2.201326     -2.812892      6.345647
  H      -2.443192     -3.716111      9.214818
  H      -2.896924     -2.182298      8.480073
  H      -0.879416     -1.327572      9.322801
  H      -0.319932     -2.951891      9.732020
  H       1.181430     -2.422240      7.927691
  H      -0.078565     -1.532671      7.050376
  H      -0.003749     -4.537232      7.564573
  H      -0.021369     -3.768929      5.967828
  H      -2.082807     -5.747660      8.587334
  H      -1.103722     -6.260845      7.223038
  N      -4.561445     -2.518236      4.858820
  H      -5.382317     -2.074191      4.446854
  H      -3.816088     -1.817806      4.841622
  H      -4.782345     -2.660402      5.847100
  N      -5.552466     -3.433857      2.676163
  N      -6.663259     -2.850314      1.822926
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.523171912765
  N      -3.118037     -3.513337      2.173814
  C      -3.092439     -4.497147      1.111177
  C      -2.588115     -5.816999      1.681866
  N      -3.387478     -6.169759      2.869464
  C      -4.604105     -6.904342      2.507387
  C      -5.635051     -6.765585      3.628172
  N      -5.834863     -5.368186      4.001326
  Mo     -4.028491     -4.318022      3.841804
  N      -2.731403     -5.009826      5.265797
  C      -1.781882     -5.929537      4.666471
  C      -2.568711     -6.929810      3.829422
  H      -1.179501     -6.494090      5.386959
  H      -1.068177     -5.391315      4.016219
  H      -3.230209     -7.470639      4.513365
  H      -1.916375     -7.649839      3.306209
  H      -6.556299     -7.241275      3.261378
  H      -5.305744     -7.362414      4.503058
  H      -5.021042     -6.453555      1.598730
  H      -4.378406     -7.966290      2.302069
  H      -2.455642     -4.208790      0.269343
  H      -4.104947     -4.652042      0.682888
  H      -1.551407     -5.663606      2.001460
  H      -2.612610     -6.632631      0.938492
  C       0.056265     -1.386830     -3.460165
  C      -0.689686     -1.087739     -2.161378
  C      -1.663197     -2.224510     -1.802983
  N      -2.456915     -2.069080     -0.594336
  C      -3.409785     -0.974263     -0.623778
  C      -4.367444     -1.154110      0.546288
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  C      -2.505188     -2.197624      1.931949
  C      -1.541957     -1.932055      3.142512
  C      -1.064403     -0.473061      3.347739
  C       0.414461     -0.564931      3.744354
  C       0.909902     -1.765272      2.938064
  C      -0.234787     -2.768855      3.100527
  C      -1.675761     -2.039223      0.631526
  C     -10.921633     -0.423883      6.066099
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  C      -8.126379     -6.012755      4.852197
  C      -7.275349     -5.009930      4.012167
  C      -7.885693     -4.997255      2.545518
  C      -9.364330     -4.521353      2.439992
  C      -9.465430     -3.709224      1.143857
  C      -8.112723     -2.975105      1.070736
  C      -7.074635     -4.115549      1.564685
  C      -7.452439     -3.638803      4.717150
  C      -1.383385     -9.920119      9.636475
  C      -1.952807     -8.552724      9.264397
  C      -2.257405     -8.457896      7.758120
  N      -2.903955     -7.241540      7.298281
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  C      -4.631643     -5.720637      8.210161
  C      -4.194291     -4.664115      7.197145
  C      -2.709620     -4.832955      6.725745
  C      -1.889884     -3.548816      7.087681
  C      -2.109910     -2.947440      8.500844
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  H       0.749401     -0.577048     -3.707660
  H      -0.647333     -1.501788     -4.291418
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  H      -1.248999     -0.149946     -2.268756
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  H      -1.090936     -3.160085     -1.705132
  H      -2.911552      0.016634     -0.546455
  H      -3.954225     -1.008946     -1.576795
  H      -5.139493     -0.374979      0.522405
  H      -4.856748     -2.125819      0.450085
  H      -3.180463     -0.105327      2.002610
  H      -4.319506     -1.294499      2.685326
  H      -2.111853     -2.274377      4.015666
  H      -1.138904      0.091864      2.411679
  H      -1.660253      0.059581      4.097283
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  H       0.511357     -0.779126      4.815531
  H       1.032804     -1.483884      1.884685
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  H     -10.782845      0.032817      5.080766
  H     -11.968166     -0.296873      6.357993
  H     -10.737533     -2.346868      7.019179
  H     -11.170913     -2.434215      5.303686
  H      -8.433778     -1.686371      6.455123
  H      -8.881780     -1.526500      4.735094
  H      -9.895121     -4.524933      6.765780
  H      -8.409259     -3.809306      7.447132
  H      -7.053078     -5.566917      6.646972
  H      -8.561696     -6.442585      6.935332
  H      -7.768732     -7.036916      4.717977
  H      -9.162534     -5.977062      4.500467
  H      -7.830171     -6.032982      2.182170
  H     -10.055504     -5.371207      2.417453
  H      -9.617134     -3.896820      3.301755
  H      -9.572561     -4.384931      0.282749
  H     -10.322551     -3.024124      1.147833
  H      -8.196921     -2.105154      1.736286
  H      -7.893770     -2.611537      0.058024
  H      -6.081171     -3.783080      2.077018
  H      -6.768182     -4.689409      0.677491
  H      -6.642009     -3.554939      5.460673
  H      -7.346685     -2.835397      3.987188
  H      -2.097494    -10.714835      9.396441
  H      -1.160325     -9.972022     10.706513
  H      -0.458331    -10.116116      9.083939
  H      -2.874024     -8.372453      9.834319
  H      -1.235878     -7.769518      9.540924
  H      -1.313326     -8.563420      7.201288
  H      -2.900399     -9.301518      7.468594
  H      -4.595295     -7.874288      8.418808
  H      -4.931502     -7.298597      6.775752
  H      -4.134056     -5.568196      9.176540
  H      -5.710177     -5.640178      8.393340
  H      -4.806376     -4.782437      6.290285
  H      -4.369812     -3.669681      7.624496
  H      -2.196456     -2.799498      6.342967
  H      -2.433604     -3.714174      9.212323
  H      -2.887489     -2.176267      8.482779
  H      -0.860349     -1.326051      9.325117
  H      -0.303322     -2.955125      9.726890
  H       1.196490     -2.421832      7.916676
  H      -0.065698     -1.525403      7.045388
  H       0.002424     -4.536035      7.549910
  H      -0.016567     -3.762090      5.953425
  H      -2.072712     -5.737270      8.574428
  H      -1.101047     -6.250455      7.203336
  N      -4.516465     -2.478930      4.882235
  H      -5.332784     -2.015766      4.479438
  H      -3.754871     -1.793889      4.867880
  H      -4.732088     -2.626360      5.872351
  N      -5.562800     -3.402452      2.680148
  N      -6.723005     -2.824280      1.807995
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.591529768035
  N      -3.098039     -3.499153      2.164742
  C      -3.079010     -4.483979      1.100400
  C      -2.591799     -5.808862      1.669749
  N      -3.397902     -6.160754      2.859085
  C      -4.621891     -6.893333      2.501459
  C      -5.646814     -6.755111      3.628159
  N      -5.849742     -5.354224      4.001589
  Mo     -4.037514     -4.297411      3.829857
  N      -2.737183     -5.001753      5.251514
  C      -1.786361     -5.928171      4.654503
  C      -2.577718     -6.925803      3.820934
  H      -1.186591     -6.493884      5.377884
  H      -1.067611     -5.395506      4.004407
  H      -3.241238     -7.465657      4.505122
  H      -1.930199     -7.648057      3.293270
  H      -6.569089     -7.232145      3.264551
  H      -5.313819     -7.354505      4.501054
  H      -5.040582     -6.442324      1.592481
  H      -4.396571     -7.955791      2.294265
  H      -2.434314     -4.202109      0.261275
  H      -4.092627     -4.625988      0.665724
  H      -1.553793     -5.665836      1.992909
  H      -2.622654     -6.625401      0.926385
  C       0.116258     -1.405203     -3.453943
  C      -0.631811     -1.096725     -2.157513
  C      -1.623194     -2.219441     -1.803126
  N      -2.419755     -2.054549     -0.595893
  C      -3.359502     -0.945866     -0.625693
  C      -4.321474     -1.113120      0.543041
  C      -3.566442     -1.078884      1.871272
  C      -2.471927     -2.184872      1.931668
  C      -1.504840     -1.928585      3.142634
  C      -1.012576     -0.472668      3.348612
  C       0.466873     -0.578304      3.744514
  C       0.950670     -1.784660      2.937347
  C      -0.204135     -2.778604      3.099668
  C      -1.639604     -2.037769      0.632254
  C     -10.971233     -0.444179      6.094071
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  N      -8.776896     -3.497585      5.386026
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  C      -8.241679     -3.006133      1.041842
  C      -7.147560     -4.122384      1.545992
  C      -7.482563     -3.631518      4.720926
  C      -1.371967     -9.913423      9.621618
  C      -1.946022     -8.546639      9.250655
  C      -2.255628     -8.450807      7.745520
  N      -2.906465     -7.234254      7.287536
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  C      -4.633360     -5.714816      8.207247
  C      -4.200793     -4.655258      7.194075
  C      -2.714919     -4.823385      6.716899
  C      -1.893121     -3.541181      7.080657
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  C      -0.753825     -2.339448      8.932568
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  C      -0.363361     -3.660456      6.977259
  C      -2.131608     -6.024288      7.496484
  H       0.823890     -0.605114     -3.699922
  H      -0.585451     -1.510136     -4.290773
  H       0.678721     -2.343005     -3.363698
  H      -1.177787     -0.149426     -2.265713
  H       0.089662     -0.970124     -1.338201
  H      -2.328069     -2.343246     -2.640545
  H      -1.064269     -3.164813     -1.705154
  H      -2.846782      0.039183     -0.546888
  H      -3.902207     -0.971504     -1.581494
  H      -5.082970     -0.321586      0.520396
  H      -4.831168     -2.076199      0.446235
  H      -3.119448     -0.083901      2.004139
  H      -4.277786     -1.257389      2.683557
  H      -2.076019     -2.262746      4.018542
  H      -1.083113      0.093084      2.410999
  H      -1.605548      0.067339      4.097366
  H       1.026923      0.340543      3.529812
  H       0.563195     -0.793448      4.817470
  H       1.075429     -1.503536      1.882278
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  H      -0.087554     -3.297926      4.057555
  H      -0.227512     -3.548115      2.321495
  H      -0.886661     -2.833691      0.562625
  H      -1.086469     -1.081744      0.729516
  H     -10.345352      0.107529      6.806540
  H     -10.845904      0.012378      5.104635
  H     -12.017532     -0.322843      6.396098
  H     -10.762108     -2.364205      7.052440
  H     -11.211695     -2.461626      5.340258
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  H      -8.414459     -3.805750      7.463367
  H      -7.044429     -5.547271      6.654602
  H      -8.537356     -6.444621      6.960865
  H      -7.758235     -7.037637      4.734332
  H      -9.168953     -5.997982      4.524904
  H      -7.853861     -6.045478      2.192986
  H     -10.091052     -5.441324      2.456569
  H      -9.683561     -3.940512      3.315660
  H      -9.670599     -4.480115      0.300808
  H     -10.450000     -3.127089      1.155832
  H      -8.363578     -2.127121      1.686240
  H      -8.047837     -2.659007      0.017443
  H      -6.110904     -3.780466      2.053633
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  H      -7.391143     -2.826546      3.989277
  H      -2.085545    -10.711954      9.383570
  H      -1.144471     -9.966997     10.692450
  H      -0.446465    -10.109395      9.065773
  H      -2.867327     -8.367983      9.824059
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  H      -2.897148     -9.297621      7.456513
  H      -4.593331     -7.869587      8.417764
  H      -4.941261     -7.298788      6.775650
  H      -4.131772     -5.562419      9.173151
  H      -5.712427     -5.634695      8.395550
  H      -4.821646     -4.773662      6.292457
  H      -4.375650     -3.659623      7.622546
  H      -2.200356     -2.788171      6.338695
  H      -2.436549     -3.711864      9.208042
  H      -2.892363     -2.172107      8.481333
  H      -0.859015     -1.321427      9.325876
  H      -0.302028     -2.953268      9.722702
  H       1.198127     -2.415152      7.908944
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  H       0.000334     -4.531205      7.538554
  H      -0.018664     -3.753454      5.942151
  H      -2.070264     -5.727179      8.561715
  H      -1.102943     -6.239501      7.186479
  N      -4.484045     -2.448877      4.904070
  H      -5.296682     -1.971924      4.506753
  H      -3.710507     -1.775701      4.895335
  H      -4.698253     -2.603681      5.894412
  N      -5.570139     -3.375889      2.683070
  N      -6.777477     -2.805061      1.794951
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.643262453820
  N      -3.076958     -3.486037      2.156173
  C      -3.066157     -4.470425      1.089964
  C      -2.597948     -5.801055      1.657105
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  C      -2.589243     -6.919803      3.811540
  H      -1.197424     -6.489606      5.368301
  H      -1.071186     -5.396038      3.991944
  H      -3.254352     -7.458804      4.495849
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  H      -2.413087     -4.195846      0.253971
  H      -4.080536     -4.597201      0.648764
  H      -1.558775     -5.670359      1.983936
  H      -2.636671     -6.617968      0.913615
  C       0.171392     -1.417574     -3.445008
  C      -0.577246     -1.101861     -2.150044
  C      -1.586303     -2.210466     -1.801103
  N      -2.384088     -2.038065     -0.594538
  C      -3.309870     -0.915706     -0.622032
  C      -4.274540     -1.071427      0.546070
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  C      -0.172413     -2.795421      3.096600
  C      -1.603813     -2.037050      0.634627
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  C      -8.127644     -6.019264      4.888839
  C      -7.320208     -4.999279      4.023392
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  C      -9.476257     -4.624267      2.481498
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  C      -8.366977     -3.048252      1.018064
  C      -7.219730     -4.129391      1.530476
  C      -7.510121     -3.623813      4.723387
  C      -1.360159     -9.903610      9.602390
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  C      -1.901366     -3.531335      7.071810
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  H      -2.782465      0.062734     -0.541068
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  H       1.947352     -2.225634      3.289050
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  H     -11.248271     -2.488326      5.375895
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  H      -8.509064     -6.441305      6.989517
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  H      -8.196346     -2.719812     -0.016864
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  H      -1.128201     -9.959167     10.673575
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  H      -2.861372     -8.362320      9.810091
  H      -1.228181     -7.746725      9.509841
  H      -1.311410     -8.543754      7.165165
  H      -2.893837     -9.291398      7.440658
  H      -4.591382     -7.864772      8.414062
  H      -4.952012     -7.299078      6.773310
  H      -4.132105     -5.557025      9.167173
  H      -5.716690     -5.630685      8.395450
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  H      -4.385501     -3.650411      7.618838
  H      -2.209195     -2.774551      6.333184
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  H      -2.903230     -2.167239      8.478044
  H      -0.864957     -1.314854      9.324984
  H      -0.306890     -2.948591      9.716239
  H       1.192910     -2.403859      7.899645
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  H      -0.006346     -4.522382      7.524905
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  N      -5.576664     -3.349184      2.684934
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.683267660003
  N      -3.053759     -3.477404      2.150373
  C      -3.051783     -4.459095      1.081346
  C      -2.603117     -5.796242      1.644488
  N      -3.422228     -6.145304      2.834897
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  C      -2.600157     -6.915450      3.801319
  H      -1.209767     -6.484703      5.358912
  H      -1.077284     -5.395460      3.980108
  H      -3.266305     -7.454392      4.485191
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  H      -4.432299     -7.935838      2.274217
  H      -2.390146     -4.191412      0.249090
  H      -4.066244     -4.569100      0.633306
  H      -1.563076     -5.679355      1.975187
  H      -2.650514     -6.612341      0.900016
  C       0.207665     -1.413212     -3.435486
  C      -0.539045     -1.095856     -2.139651
  C      -1.560672     -2.194500     -1.796245
  N      -2.356790     -2.020215     -0.588133
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  C       1.034846     -1.841410      2.929202
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  H      -2.734325      0.085092     -0.525547
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  H      -1.483407      0.057537      4.115586
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  H      -8.480629     -6.430240      7.018281
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  H      -9.174713     -6.031825      4.582983
  H      -7.878821     -6.070759      2.221582
  H     -10.133047     -5.591792      2.553654
  H      -9.792219     -4.037385      3.351653
  H      -9.831010     -4.696751      0.354420
  H     -10.672213     -3.361973      1.181376
  H      -8.655994     -2.210700      1.606731
  H      -8.328618     -2.791405     -0.046142
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  H      -1.118683     -9.947814     10.659886
  H      -0.426782    -10.084412      9.027980
  H      -2.861394     -8.355281      9.798000
  H      -1.231717     -7.732078      9.496558
  H      -1.313406     -8.532101      7.150042
  H      -2.892517     -9.285393      7.427668
  H      -4.592597     -7.860728      8.409793
  H      -4.963819     -7.301983      6.769464
  H      -4.138706     -5.552086      9.158600
  H      -5.725390     -5.628699      8.390567
  H      -4.860541     -4.759720      6.288575
  H      -4.399902     -3.644097      7.610497
  H      -2.222382     -2.762799      6.325265
  H      -2.457931     -3.702698      9.192524
  H      -2.920361     -2.162474      8.470338
  H      -0.879028     -1.306225      9.319579
  H      -0.319068     -2.940458      9.707402
  H       1.180614     -2.390162      7.888740
  H      -0.088434     -1.490220      7.025409
  H      -0.017684     -4.512195      7.511366
  H      -0.038119     -3.728217      5.916689
  H      -2.075011     -5.703297      8.530541
  H      -1.116658     -6.212589      7.148851
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  H      -5.243774     -1.897694      4.531741
  H      -3.648064     -1.737999      4.932912
  H      -4.659981     -2.556862      5.917733
  N      -5.578772     -3.325299      2.685936
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.715333391123
  N      -3.030225     -3.471538      2.147533
  C      -3.037976     -4.448671      1.074899
  C      -2.609682     -5.793021      1.632515
  N      -3.434983     -6.140121      2.822111
  C      -4.674731     -6.865696      2.478193
  C      -5.675823     -6.735445      3.625160
  N      -5.890664     -5.330348      4.002141
  Mo     -4.077317     -4.243562      3.783859
  N      -2.772879     -4.975492      5.202312
  C      -1.816626     -5.914293      4.615842
  C      -2.612596     -6.910370      3.791108
  H      -1.224726     -6.476648      5.349807
  H      -1.087857     -5.391410      3.968313
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  H      -1.974560     -7.634904      3.252994
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  H      -5.098817     -6.411243      1.571445
  H      -4.448878     -7.927679      2.261173
  H      -2.367775     -4.187923      0.246648
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  H      -1.568933     -5.691615      1.966822
  H      -2.666934     -6.607151      0.886278
  C       0.233783     -1.403580     -3.425499
  C      -0.508997     -1.086763     -2.127454
  C      -1.541129     -2.176922     -1.789149
  N      -2.333641     -2.003082     -0.578256
  C      -3.240419     -0.863168     -0.590050
  C      -4.200385     -1.008511      0.582482
  C      -3.434341     -1.025354      1.904230
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  C      -0.847205     -0.508703      3.373633
  C       0.634787     -0.661644      3.750796
  C       1.074995     -1.873955      2.923375
  C      -0.107060     -2.838372      3.084878
  C      -1.545554     -2.034418      0.646407
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  C      -1.346648     -9.876832      9.573697
  C      -1.939501     -8.516728      9.205409
  C      -2.259676     -8.420724      7.703338
  N      -2.926213     -7.208719      7.249297
  C      -4.339114     -7.096263      7.647208
  C      -4.655478     -5.702228      8.185792
  C      -4.239019     -4.635368      7.171033
  C      -2.752311     -4.791972      6.680490
  C      -1.931046     -3.512535      7.049018
  C      -2.150101     -2.920604      8.472381
  C      -0.790560     -2.312182      8.906700
  C       0.088771     -2.356935      7.644353
  C      -0.399889     -3.623020      6.938782
  C      -2.157366     -5.992082      7.448801
  H       0.974955     -0.627920     -3.664292
  H      -0.466835     -1.473893     -4.271441
  H       0.764032     -2.365321     -3.349814
  H      -1.020283     -0.115658     -2.221210
  H       0.213071     -0.991308     -1.300854
  H      -2.247680     -2.266630     -2.632788
  H      -1.016317     -3.146201     -1.706655
  H      -2.692895      0.105435     -0.505202
  H      -3.785500     -0.859016     -1.547304
  H      -4.932165     -0.185478      0.578939
  H      -4.764411     -1.944443      0.480017
  H      -2.948415     -0.047518      2.051826
  H      -4.147349     -1.182700      2.722827
  H      -1.952309     -2.269648      4.038736
  H      -0.914140      0.070561      2.440871
  H      -1.422150      0.042547      4.131795
  H       1.220896      0.245900      3.544555
  H       0.738931     -0.892214      4.823267
  H       1.195544     -1.581643      1.867619
  H       2.027706     -2.307625      3.260784
  H       0.006979     -3.377803      4.034261
  H      -0.163929     -3.600833      2.297886
  H      -0.824048     -2.860961      0.561828
  H      -0.945935     -1.105436      0.755235
  H     -10.416410      0.108551      6.826462
  H     -10.967743     -0.026052      5.140374
  H     -12.095030     -0.356322      6.475587
  H     -10.783925     -2.374070      7.127943
  H     -11.284538     -2.510635      5.432287
  H      -8.518048     -1.662106      6.453301
  H      -9.033861     -1.553781      4.747911
  H      -9.882025     -4.548136      6.893620
  H      -8.394058     -3.764364      7.494243
  H      -7.004983     -5.478386      6.673933
  H      -8.455918     -6.418171      7.043069
  H      -7.729995     -7.033911      4.795219
  H      -9.176005     -6.042849      4.609710
  H      -7.878675     -6.080654      2.234315
  H     -10.138125     -5.664581      2.603702
  H      -9.831831     -4.083966      3.366245
  H      -9.885019     -4.809385      0.382469
  H     -10.758352     -3.484189      1.190447
  H      -8.770689     -2.265799      1.576697
  H      -8.442272     -2.867412     -0.070442
  H      -6.152657     -3.769559      1.994869
  H      -6.996890     -4.708464      0.621280
  H      -6.699490     -3.480672      5.430008
  H      -7.490814     -2.816846      3.970052
  H      -2.052145    -10.688510      9.340100
  H      -1.108827     -9.934249     10.645105
  H      -0.419573    -10.067711      9.011731
  H      -2.861484     -8.347104      9.785953
  H      -1.235985     -7.716000      9.482693
  H      -1.316813     -8.518902      7.134654
  H      -2.892010     -9.277952      7.415022
  H      -4.593688     -7.856035      8.406663
  H      -4.976264     -7.304618      6.766841
  H      -4.146269     -5.546568      9.149979
  H      -5.734792     -5.626939      8.386481
  H      -4.882239     -4.755002      6.284042
  H      -4.416344     -3.638674      7.601767
  H      -2.239874     -2.750674      6.315821
  H      -2.473027     -3.695596      9.182006
  H      -2.940233     -2.156835      8.460811
  H      -0.896472     -1.295633      9.310094
  H      -0.333462     -2.929480      9.694597
  H       1.163922     -2.373424      7.873020
  H      -0.108336     -1.476034      7.012242
  H      -0.031753     -4.499535      7.494674
  H      -0.055362     -3.713952      5.900978
  H      -2.081039     -5.690350      8.514278
  H      -1.127573     -6.198542      7.130234
  N      -4.428631     -2.367454      4.936292
  H      -5.228730     -1.871061      4.532151
  H      -3.631760     -1.721419      4.945828
  H      -4.656454     -2.537331      5.921671
  N      -5.577768     -3.301090      2.686341
  N      -6.899907     -2.769253      1.775003
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.742054929028
  N      -3.006924     -3.469104      2.147558
  C      -3.025038     -4.439816      1.070211
  C      -2.616847     -5.791873      1.620467
  N      -3.447639     -6.136827      2.808816
  C      -4.690309     -6.860095      2.467949
  C      -5.683257     -6.734847      3.621247
  N      -5.901565     -5.330424      4.000394
  Mo     -4.093719     -4.231515      3.767476
  N      -2.789299     -4.968080      5.186126
  C      -1.830637     -5.907423      4.602679
  C      -2.624796     -6.905663      3.780257
  H      -1.239848     -6.466527      5.339720
  H      -1.101812     -5.384433      3.955432
  H      -3.290458     -7.445972      4.463598
  H      -1.987356     -7.629401      3.240266
  H      -6.607725     -7.224955      3.278236
  H      -5.322741     -7.335571      4.483074
  H      -5.116081     -6.402677      1.563196
  H      -4.464203     -7.921297      2.245780
  H      -2.346968     -4.185480      0.245845
  H      -4.038397     -4.513433      0.609315
  H      -1.575435     -5.706909      1.957555
  H      -2.684797     -6.602715      0.871458
  C       0.247573     -1.388003     -3.417053
  C      -0.489212     -1.074160     -2.115241
  C      -1.529098     -2.157994     -1.781101
  N      -2.316020     -1.987161     -0.566032
  C      -3.215731     -0.841404     -0.567136
  C      -4.170052     -0.984090      0.609760
  C      -3.396363     -1.017196      1.926213
  C      -2.343007     -2.163622      1.962163
  C      -1.347683     -1.964999      3.160362
  C      -0.796292     -0.528886      3.386728
  C       0.686331     -0.696838      3.754899
  C       1.112008     -1.908116      2.918014
  C      -0.077348     -2.863696      3.079361
  C      -1.521792     -2.034068      0.654242
  C     -11.057307     -0.469418      6.152632
  C     -10.642161     -1.940906      6.137421
  C      -9.192591     -2.115831      5.682798
  N      -8.825794     -3.500258      5.426989
  C      -8.827893     -4.313345      6.644775
  C      -8.047284     -5.611597      6.409131
  C      -8.122844     -6.019294      4.940946
  C      -7.361571     -4.994899      4.036786
  C      -8.039398     -5.054400      2.595365
  C      -9.572533     -4.791180      2.550903
  C      -9.867521     -4.144536      1.195078
  C      -8.658820     -3.222025      0.966467
  C      -7.396669     -4.143027      1.495632
  C      -7.550191     -3.608462      4.715004
  C      -1.340862     -9.860081      9.562836
  C      -1.940928     -8.503508      9.194388
  C      -2.263203     -8.409307      7.692954
  N      -2.935361     -7.200300      7.238773
  C      -4.347734     -7.092689      7.641095
  C      -4.666797     -5.698807      8.177141
  C      -4.255456     -4.631414      7.160462
  C      -2.769472     -4.782445      6.667068
  C      -1.950105     -3.502735      7.035779
  C      -2.169450     -2.911163      8.459938
  C      -0.810674     -2.299155      8.892393
  C       0.067782     -2.342323      7.629081
  C      -0.418801     -3.608951      6.923323
  C      -2.169803     -5.981037      7.433876
  H       0.995305     -0.617657     -3.654222
  H      -0.455214     -1.447411     -4.262625
  H       0.770436     -2.354965     -3.350315
  H      -0.992406     -0.097579     -2.199883
  H       0.235515     -0.989093     -1.289385
  H      -2.238585     -2.237041     -2.623757
  H      -1.011945     -3.132566     -1.707946
  H      -2.660826      0.123333     -0.481583
  H      -3.764866     -0.828777     -1.522283
  H      -4.893470     -0.153214      0.616111
  H      -4.748116     -1.912035      0.505886
  H      -2.900312     -0.044490      2.077302
  H      -4.106038     -1.170027      2.748611
  H      -1.912538     -2.281961      4.048420
  H      -0.863817      0.056797      2.457576
  H      -1.363829      0.023121      4.150290
  H       1.279613      0.207241      3.552411
  H       0.794367     -0.934646      4.825936
  H       1.229445     -1.610044      1.863089
  H       2.063665     -2.351667      3.246345
  H       0.037883     -3.411344      4.024032
  H      -0.145319     -3.621422      2.288233
  H      -0.809132     -2.867654      0.560536
  H      -0.910220     -1.112851      0.765901
  H     -10.414371      0.116393      6.827636
  H     -10.980649     -0.027279      5.147515
  H     -12.095460     -0.351825      6.494543
  H     -10.776251     -2.367078      7.144500
  H     -11.291881     -2.512417      5.454800
  H      -8.516840     -1.652740      6.444589
  H      -9.047772     -1.556495      4.743720
  H      -9.871697     -4.540348      6.915854
  H      -8.381013     -3.749348      7.498260
  H      -6.993730     -5.461492      6.676749
  H      -8.435927     -6.406169      7.063260
  H      -7.725829     -7.032377      4.811199
  H      -9.177338     -6.050588      4.632779
  H      -7.871746     -6.087204      2.243464
  H     -10.134712     -5.731683      2.650627
  H      -9.862767     -4.126847      3.376993
  H      -9.921063     -4.917057      0.408477
  H     -10.826697     -3.601961      1.195512
  H      -8.862108     -2.323342      1.554670
  H      -8.535092     -2.940949     -0.088670
  H      -6.147634     -3.762297      1.979239
  H      -7.029358     -4.706909      0.618069
  H      -6.701390     -3.468339      5.417505
  H      -7.508512     -2.817983      3.960888
  H      -2.042174    -10.676389      9.330674
  H      -1.100685     -9.917430     10.634076
  H      -0.413198    -10.048088      8.999997
  H      -2.863195     -8.337427      9.776200
  H      -1.242146     -7.698111      9.471517
  H      -1.320624     -8.505034      7.122690
  H      -2.891651     -9.270086      7.405381
  H      -4.595596     -7.851101      8.404543
  H      -4.988248     -7.308060      6.764523
  H      -4.156462     -5.540294      9.140642
  H      -5.745889     -5.625645      8.380650
  H      -4.903583     -4.752055      6.277058
  H      -4.434791     -3.634603      7.590720
  H      -2.259879     -2.739495      6.304651
  H      -2.490586     -3.686737      9.170213
  H      -2.962805     -2.150326      8.448644
  H      -0.917867     -1.283071      9.297300
  H      -0.351300     -2.915715      9.679997
  H       1.143659     -2.354974      7.855898
  H      -0.131610     -1.461591      6.996606
  H      -0.048017     -4.485554      7.478181
  H      -0.075118     -3.699803      5.885165
  H      -2.088876     -5.676697      8.498684
  H      -1.139863     -6.184482      7.113301
  N      -4.423648     -2.348787      4.940727
  H      -5.219398     -1.851845      4.528382
  H      -3.622778     -1.708370      4.956965
  H      -4.660081     -2.522714      5.923107
  N      -5.573218     -3.276958      2.687284
  N      -6.918953     -2.762164      1.777116
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.765057581701
  N      -2.985328     -3.469370      2.149714
  C      -3.014368     -4.432683      1.067169
  C      -2.625906     -5.792432      1.609434
  N      -3.461483     -6.134192      2.796602
  C      -4.706050     -6.855790      2.458305
  C      -5.691227     -6.735565      3.617364
  N      -5.912254     -5.332203      3.997874
  Mo     -4.112663     -4.220957      3.751257
  N      -2.808360     -4.959001      5.171353
  C      -1.846890     -5.897136      4.590377
  C      -2.637855     -6.899532      3.770884
  H      -1.255626     -6.451574      5.330186
  H      -1.120331     -5.372466      3.942074
  H      -3.301595     -7.441129      4.454870
  H      -1.999641     -7.622171      3.230409
  H      -6.615861     -7.230021      3.280653
  H      -5.322565     -7.334490      4.476675
  H      -5.133690     -6.395197      1.555850
  H      -4.479667     -7.916115      2.230979
  H      -2.329298     -4.184736      0.246215
  H      -4.027122     -4.488516      0.601242
  H      -1.583837     -5.724261      1.948246
  H      -2.705204     -6.599283      0.857300
  C       0.255940     -1.372785     -3.409677
  C      -0.474011     -1.062736     -2.103549
  C      -1.520445     -2.141177     -1.773007
  N      -2.301072     -1.974134     -0.553402
  C      -3.194356     -0.823474     -0.543906
  C      -4.142334     -0.963281      0.637893
  C      -3.360507     -1.011637      1.948514
  C      -2.315998     -2.165607      1.974003
  C      -1.314045     -1.982171      3.167457
  C      -0.748789     -0.551959      3.399932
  C       0.733750     -0.735474      3.760344
  C       1.145043     -1.945714      2.914697
  C      -0.052012     -2.891756      3.075303
  C      -1.500623     -2.035614      0.662132
  C     -11.057781     -0.466948      6.164495
  C     -10.641890     -1.937902      6.150045
  C      -9.196397     -2.113543      5.683993
  N      -8.828817     -3.498547      5.432022
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  C      -8.123385     -6.018201      4.951857
  C      -7.371013     -4.994542      4.038230
  C      -8.049999     -5.060443      2.603483
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  C      -9.905691     -4.227106      1.202342
  C      -8.723416     -3.280481      0.956059
  C      -7.441335     -4.138274      1.488560
  C      -7.557601     -3.605997      4.712215
  C      -1.330760     -9.842355      9.548676
  C      -1.939172     -8.489459      9.181826
  C      -2.265254     -8.396455      7.681385
  N      -2.944007     -7.190620      7.228525
  C      -4.355189     -7.088468      7.636825
  C      -4.677200     -5.695006      8.170852
  C      -4.272399     -4.627079      7.151886
  C      -2.787979     -4.771574      6.654423
  C      -1.970459     -3.491418      7.022931
  C      -2.189905     -2.899780      8.447516
  C      -0.832086     -2.284234      8.877929
  C       0.045504     -2.326288      7.613957
  C      -0.438994     -3.593756      6.908746
  C      -2.182094     -5.968632      7.418880
  H       1.009099     -0.607067     -3.645473
  H      -0.449592     -1.421672     -4.253957
  H       0.772091     -2.344218     -3.352251
  H      -0.969850     -0.081390     -2.178664
  H       0.253894     -0.987984     -1.279255
  H      -2.233319     -2.209900     -2.613923
  H      -1.010141     -3.120297     -1.709607
  H      -2.632969      0.137783     -0.458638
  H      -3.748200     -0.803423     -1.496349
  H      -4.857144     -0.124832      0.653877
  H      -4.733436     -1.883372      0.533375
  H      -2.854331     -0.044152      2.101500
  H      -4.066047     -1.159185      2.775105
  H      -1.878035     -2.296342      4.057424
  H      -0.815705      0.040112      2.474521
  H      -1.308886      0.000826      4.168588
  H       1.334699      0.164582      3.561802
  H       0.844350     -0.980440      4.829848
  H       1.260461     -1.642238      1.860852
  H       2.094781     -2.399339      3.235129
  H       0.063400     -3.447403      4.015282
  H      -0.130456     -3.644460      2.280094
  H      -0.796166     -2.875284      0.559496
  H      -0.878538     -1.121486      0.775974
  H     -10.409970      0.122055      6.832407
  H     -10.989352     -0.026770      5.157696
  H     -12.093257     -0.347438      6.514366
  H     -10.768431     -2.362134      7.159154
  H     -11.297208     -2.512206      5.474775
  H      -8.514475     -1.645641      6.437806
  H      -9.058926     -1.558355      4.741320
  H      -9.863659     -4.533288      6.933457
  H      -8.370317     -3.738032      7.500997
  H      -6.986001     -5.449236      6.677921
  H      -8.421556     -6.396775      7.078015
  H      -7.724374     -7.030715      4.822662
  H      -9.179731     -6.056003      4.651249
  H      -7.861042     -6.089117      2.248709
  H     -10.126165     -5.790423      2.692037
  H      -9.887901     -4.163969      3.382914
  H      -9.941467     -5.015381      0.430505
  H     -10.879057     -3.710607      1.194922
  H      -8.932375     -2.378548      1.538742
  H      -8.608256     -3.006923     -0.102059
  H      -6.134788     -3.751292      1.965729
  H      -7.051594     -4.700069      0.619331
  H      -6.703395     -3.459391      5.407183
  H      -7.522862     -2.818941      3.954199
  H      -2.027618    -10.663253      9.318160
  H      -1.087087     -9.899929     10.619288
  H      -0.403240    -10.026219      8.983776
  H      -2.860938     -8.327809      9.766023
  H      -1.245005     -7.679558      9.458221
  H      -1.323705     -8.488902      7.108538
  H      -2.889908     -9.260633      7.394959
  H      -4.595251     -7.845674      8.404189
  H      -4.999504     -7.310405      6.764484
  H      -4.164938     -5.533502      9.133050
  H      -5.755748     -5.624478      8.378167
  H      -4.925183     -4.748663      6.272081
  H      -4.453960     -3.630534      7.582169
  H      -2.280787     -2.727324      6.293317
  H      -2.509097     -3.675554      9.158669
  H      -2.986038     -2.141628      8.436329
  H      -0.940599     -1.268567      9.283826
  H      -0.370613     -2.899763      9.665360
  H       1.121883     -2.335229      7.839172
  H      -0.155997     -1.446172      6.980759
  H      -0.065687     -4.469904      7.463100
  H      -0.095869     -3.684909      5.870625
  H      -2.095557     -5.662247      8.482938
  H      -1.152464     -6.168707      7.094949
  N      -4.423557     -2.332468      4.942867
  H      -5.214692     -1.836393      4.520769
  H      -3.619465     -1.696902      4.965208
  H      -4.669245     -2.509548      5.922037
  N      -5.566633     -3.251350      2.688703
  N      -6.927559     -2.755161      1.784438
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.785207627836
  N      -2.965342     -3.473148      2.152553
  C      -3.006085     -4.427595      1.063810
  C      -2.636449     -5.795145      1.597135
  N      -3.475612     -6.133438      2.783629
  C      -4.721012     -6.854519      2.447681
  C      -5.698557     -6.739616      3.612280
  N      -5.921680     -5.337466      3.993459
  Mo     -4.133489     -4.213599      3.734021
  N      -2.829127     -4.949958      5.156818
  C      -1.864050     -5.884829      4.577087
  C      -2.650381     -6.893293      3.760933
  H      -1.270291     -6.433366      5.318740
  H      -1.142341     -5.356686      3.926321
  H      -3.310903     -7.436759      4.446296
  H      -2.009906     -7.614278      3.221110
  H      -6.623254     -7.238739      3.282398
  H      -5.321556     -7.336012      4.469378
  H      -5.151294     -6.390634      1.548046
  H      -4.493962     -7.913765      2.215074
  H      -2.315289     -4.185425      0.245583
  H      -4.018568     -4.466400      0.594318
  H      -1.593617     -5.743657      1.936234
  H      -2.727635     -6.597181      0.841379
  C       0.257910     -1.353039     -3.403475
  C      -0.464104     -1.048987     -2.091955
  C      -1.516078     -2.123139     -1.765434
  N      -2.289464     -1.961819     -0.540570
  C      -3.176793     -0.806958     -0.519000
  C      -4.117408     -0.944980      0.668381
  C      -3.326492     -1.009100      1.972401
  C      -2.291310     -2.170715      1.985594
  C      -1.282755     -2.004041      3.174363
  C      -0.703360     -0.580535      3.415333
  C       0.778818     -0.780447      3.767452
  C       1.175407     -1.987593      2.910533
  C      -0.029283     -2.924188      3.068906
  C      -1.482332     -2.038332      0.669627
  C     -11.050143     -0.462870      6.178991
  C     -10.635576     -1.933869      6.163241
  C      -9.194313     -2.111473      5.685918
  N      -8.828067     -3.497341      5.436394
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  C      -8.034110     -5.598797      6.423150
  C      -8.124467     -6.018064      4.960326
  C      -7.378363     -4.996154      4.038052
  C      -8.056143     -5.065176      2.609929
  C      -9.598127     -4.881615      2.582568
  C      -9.932523     -4.301776      1.207719
  C      -8.773697     -3.334662      0.949507
  C      -7.479597     -4.129709      1.484110
  C      -7.561260     -3.605978      4.709562
  C      -1.319262     -9.821064      9.538814
  C      -1.937346     -8.472768      9.172566
  C      -2.265964     -8.382225      7.672711
  N      -2.952202     -7.180664      7.219898
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  C      -4.689832     -5.691955      8.162984
  C      -4.291522     -4.624086      7.141284
  C      -2.808323     -4.760723      6.641431
  C      -1.994055     -3.478843      7.009100
  C      -2.215492     -2.885391      8.432881
  C      -0.859833     -2.264364      8.861713
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  C      -0.462232     -3.576205      6.895209
  C      -2.195475     -5.955046      7.405251
  H       1.015509     -0.591050     -3.637392
  H      -0.451172     -1.390680     -4.245494
  H       0.767891     -2.328416     -3.356928
  H      -0.953190     -0.063375     -2.155958
  H       0.267706     -0.985511     -1.270084
  H      -2.233024     -2.180771     -2.603797
  H      -1.011976     -3.106274     -1.713363
  H      -2.609630      0.151081     -0.434000
  H      -3.736328     -0.779318     -1.467981
  H      -4.823386     -0.099207      0.694870
  H      -4.720566     -1.857370      0.563131
  H      -2.809975     -0.047125      2.126592
  H      -4.026932     -1.151446      2.803705
  H      -1.846161     -2.317348      4.065404
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  H      -1.255387     -0.028734      4.190581
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  H       0.891706     -1.034892      4.834748
  H       1.288733     -1.676628      1.858531
  H       2.122903     -2.451926      3.222217
  H       0.086717     -3.489865      4.002768
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  H      -0.850903     -1.130800      0.785888
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  H     -10.989056     -0.023493      5.171290
  H     -12.082703     -0.340861      6.536711
  H     -10.755282     -2.357366      7.173580
  H     -11.296950     -2.508810      5.494263
  H      -8.505912     -1.640662      6.432283
  H      -9.063659     -1.559704      4.740330
  H      -9.854156     -4.526079      6.948602
  H      -8.357173     -3.729877      7.502885
  H      -6.978556     -5.442197      6.677593
  H      -8.409824     -6.389859      7.089326
  H      -7.725160     -7.030559      4.831263
  H      -9.182479     -6.060029      4.667217
  H      -7.848142     -6.088766      2.249925
  H     -10.114159     -5.842186      2.728173
  H      -9.907770     -4.197376      3.385715
  H      -9.949663     -5.103193      0.448906
  H     -10.917815     -3.809187      1.190948
  H      -8.985067     -2.430230      1.529478
  H      -8.665156     -3.063189     -0.109997
  H      -6.115294     -3.738609      1.953934
  H      -7.064934     -4.689498      0.625042
  H      -6.702117     -3.455347      5.397665
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  H      -2.010413    -10.647275      9.309616
  H      -1.073086     -9.877790     10.608954
  H      -0.391310     -9.999490      8.972706
  H      -2.859170     -8.316407      9.758206
  H      -1.248768     -7.657715      9.448182
  H      -1.324901     -8.470496      7.098301
  H      -2.885722     -9.250455      7.387486
  H      -4.594878     -7.840664      8.404097
  H      -5.008992     -7.314745      6.763754
  H      -4.176982     -5.526040      9.124220
  H      -5.768109     -5.625153      8.372635
  H      -4.946891     -4.747681      6.263813
  H      -4.476961     -3.627847      7.570781
  H      -2.304391     -2.715496      6.279175
  H      -2.532514     -3.660629      9.145655
  H      -3.014822     -2.130542      8.420024
  H      -0.971229     -1.248678      9.266844
  H      -0.396447     -2.877194      9.650241
  H       1.094645     -2.310177      7.822975
  H      -0.185719     -1.428111      6.962445
  H      -0.086043     -4.450414      7.450855
  H      -0.118467     -3.668704      5.857815
  H      -2.104667     -5.645856      8.468340
  H      -1.165810     -6.151033      7.079056
  N      -4.426454     -2.321141      4.943445
  H      -5.212903     -1.826356      4.511562
  H      -3.619577     -1.689999      4.971199
  H      -4.681048     -2.501283      5.919379
  N      -5.558735     -3.226196      2.690509
  N      -6.927269     -2.749767      1.797771
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.802824261768
  N      -2.946613     -3.480272      2.157701
  C      -2.999293     -4.424977      1.062240
  C      -2.648662     -5.800371      1.586688
  N      -3.491486     -6.134016      2.772530
  C      -4.736730     -6.855381      2.437683
  C      -5.707880     -6.744988      3.606520
  N      -5.932120     -5.343856      3.987006
  Mo     -4.157538     -4.208021      3.717077
  N      -2.854110     -4.940054      5.145278
  C      -1.885042     -5.871141      4.566864
  C      -2.665674     -6.887001      3.754374
  H      -1.288230     -6.412857      5.310682
  H      -1.168868     -5.339821      3.912884
  H      -3.323179     -7.431780      4.441349
  H      -2.021789     -7.606811      3.217319
  H      -6.632651     -7.248450      3.283204
  H      -5.323790     -7.338285      4.462269
  H      -5.169350     -6.388285      1.540758
  H      -4.508796     -7.913543      2.200404
  H      -2.303201     -4.188482      0.246534
  H      -4.011416     -4.447247      0.589662
  H      -1.605228     -5.765625      1.925577
  H      -2.751963     -6.597175      0.827217
  C       0.258002     -1.336815     -3.396784
  C      -0.455862     -1.038893     -2.079757
  C      -1.512922     -2.109095     -1.756902
  N      -2.279034     -1.953549     -0.526857
  C      -3.160795     -0.795033     -0.493837
  C      -4.093750     -0.930903      0.699404
  C      -3.293558     -1.009706      1.996607
  C      -2.268121     -2.178941      1.997910
  C      -1.253168     -2.027130      3.182295
  C      -0.661514     -0.609585      3.430325
  C       0.820342     -0.823244      3.774406
  C       1.204017     -2.027135      2.907374
  C      -0.006909     -2.955793      3.064457
  C      -1.465455     -2.044016      0.677998
  C     -11.042616     -0.460660      6.196934
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  C      -8.060045     -5.065981      2.612207
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  C      -8.810897     -3.378208      0.943565
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  C      -7.565621     -3.607601      4.707702
  C      -1.299772     -9.799059      9.525699
  C      -1.929200     -8.455551      9.162352
  C      -2.264382     -8.367200      7.663935
  N      -2.959743     -7.170107      7.213466
  C      -4.367952     -7.081799      7.634505
  C      -4.699832     -5.689012      8.162183
  C      -4.311344     -4.621201      7.136642
  C      -2.830681     -4.749400      6.630768
  C      -2.019323     -3.465294      6.995376
  C      -2.239604     -2.869701      8.418486
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  H       1.019494     -0.578175     -3.628882
  H      -0.454856     -1.363507     -4.236049
  H       0.762062     -2.315719     -3.360920
  H      -0.938491     -0.049450     -2.132841
  H       0.280012     -0.986634     -1.260732
  H      -2.234039     -2.155877     -2.592346
  H      -1.014669     -3.095791     -1.715975
  H      -2.588524      0.160149     -0.409946
  H      -3.726421     -0.760821     -1.438995
  H      -4.790695     -0.078003      0.735812
  H      -4.708006     -1.835922      0.594138
  H      -2.766502     -0.053356      2.150599
  H      -3.988490     -1.145939      2.832868
  H      -1.815541     -2.340221      4.074505
  H      -0.727304     -0.001494      2.515005
  H      -1.205941     -0.059255      4.212004
  H       1.435287      0.069562      3.586012
  H       0.935542     -1.086023      4.839519
  H       1.314936     -1.709517      1.857073
  H       2.149637     -2.500457      3.211006
  H       0.110704     -3.530588      3.992599
  H      -0.104636     -3.694727      2.258397
  H      -0.776038     -2.893514      0.556094
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  H     -10.384136      0.127706      6.855088
  H     -10.987052     -0.019474      5.189718
  H     -12.072561     -0.336650      6.561369
  H     -10.745137     -2.357478      7.186436
  H     -11.297425     -2.505002      5.510993
  H      -8.498983     -1.640143      6.430269
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  H      -6.976809     -5.442142      6.674295
  H      -8.405994     -6.388859      7.092692
  H      -7.730617     -7.031347      4.832286
  H      -9.188436     -6.062519      4.675626
  H      -7.835925     -6.083767      2.244659
  H     -10.101993     -5.882850      2.754406
  H      -9.924502     -4.223403      3.382363
  H      -9.948345     -5.173972      0.459278
  H     -10.944720     -3.890751      1.180163
  H      -9.022649     -2.472102      1.523233
  H      -8.706829     -3.103675     -0.115818
  H      -6.089830     -3.723053      1.942512
  H      -7.069808     -4.672800      0.633518
  H      -6.703026     -3.456043      5.391128
  H      -7.538572     -2.823009      3.946982
  H      -1.985379    -10.630648      9.299264
  H      -1.048312     -9.854924     10.594637
  H      -0.372944     -9.970964      8.955757
  H      -2.849476     -8.305200      9.751924
  H      -1.245666     -7.635367      9.435424
  H      -1.325386     -8.450603      7.085486
  H      -2.879804     -9.239457      7.381431
  H      -4.590195     -7.835622      8.410668
  H      -5.018649     -7.319012      6.770846
  H      -4.183798     -5.518399      9.120929
  H      -5.777185     -5.626529      8.377146
  H      -4.970721     -4.746975      6.262711
  H      -4.500194     -3.625558      7.566147
  H      -2.331581     -2.703377      6.265450
  H      -2.552032     -3.644372      9.133884
  H      -3.042378     -2.118468      8.405812
  H      -0.999468     -1.226450      9.246131
  H      -0.417701     -2.851727      9.630549
  H       1.066643     -2.282058      7.798275
  H      -0.218950     -1.408174      6.938497
  H      -0.106235     -4.428686      7.433857
  H      -0.146506     -3.650459      5.839943
  H      -2.111134     -5.629021      8.454301
  H      -1.179456     -6.132116      7.061074
  N      -4.432882     -2.312630      4.943040
  H      -5.213894     -1.818609      4.501101
  H      -3.623077     -1.686214      4.975662
  H      -4.696495     -2.495128      5.915695
  N      -5.550564     -3.200348      2.692453
  N      -6.918694     -2.743550      1.815819
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.817950857241
  N      -2.928661     -3.489229      2.161279
  C      -2.993902     -4.423158      1.058314
  C      -2.660742     -5.806478      1.572838
  N      -3.505601     -6.135834      2.758981
  C      -4.749723     -6.859083      2.425212
  C      -5.714302     -6.753590      3.598446
  N      -5.939117     -5.353460      3.978163
  Mo     -4.181308     -4.205057      3.698130
  N      -2.878885     -4.931740      5.133290
  C      -1.905178     -5.858362      4.555296
  C      -2.679427     -6.881523      3.745717
  H      -1.305069     -6.393586      5.300518
  H      -1.194059     -5.324538      3.898387
  H      -3.334039     -7.427732      4.434053
  H      -2.031354     -7.600060      3.212294
  H      -6.639285     -7.261155      3.282068
  H      -5.323250     -7.343860      4.452811
  H      -5.185942     -6.388680      1.531709
  H      -4.520154     -7.915851      2.183018
  H      -2.294212     -4.191091      0.244184
  H      -4.006001     -4.429915      0.584109
  H      -1.616432     -5.787855      1.909832
  H      -2.776668     -6.597340      0.809310
  C       0.259425     -1.320225     -3.391299
  C      -0.447631     -1.028979     -2.069371
  C      -1.508740     -2.096413     -1.750708
  N      -2.268892     -1.947214     -0.516287
  C      -3.146749     -0.786374     -0.473220
  C      -4.072642     -0.920496      0.725480
  C      -3.263990     -1.012027      2.016407
  C      -2.247504     -2.187908      2.006863
  C      -1.227645     -2.048000      3.188090
  C      -0.627678     -0.634920      3.442729
  C       0.853608     -0.858099      3.781665
  C       1.228972     -2.058113      2.905934
  C       0.013867     -2.981712      3.060288
  C      -1.449975     -2.049683      0.683944
  C     -11.024939     -0.457908      6.219651
  C     -10.617077     -1.930165      6.193047
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  N      -8.823859     -3.499845      5.444163
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  C      -8.131540     -6.021245      4.965785
  C      -7.390911     -5.002569      4.031784
  C      -8.061696     -5.067161      2.614650
  C      -9.608544     -4.945686      2.598421
  C      -9.963106     -4.412873      1.210673
  C      -8.841950     -3.412706      0.944189
  C      -7.540361     -4.097115      1.481478
  C      -7.564470     -3.612365      4.706864
  C      -1.286269     -9.774995      9.522493
  C      -1.927420     -8.437436      9.158553
  C      -2.263853     -8.353227      7.660233
  N      -2.968006     -7.161834      7.208550
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  C      -2.854298     -4.740678      6.619307
  C      -2.047176     -3.453586      6.981742
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  H       1.023893     -0.563930     -3.621021
  H      -0.456613     -1.337011     -4.228066
  H       0.758650     -2.301865     -3.365308
  H      -0.924919     -0.036504     -2.112316
  H       0.291647     -0.987074     -1.252870
  H      -2.233300     -2.133335     -2.583606
  H      -1.015140     -3.085833     -1.720118
  H      -2.571036      0.166937     -0.390949
  H      -3.718138     -0.747275     -1.414700
  H      -4.761252     -0.061309      0.770617
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  H       0.133056     -3.564781      3.983184
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  H     -12.051720     -0.331341      6.591854
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  H     -11.290466     -2.499973      5.531666
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  H      -9.064815     -1.563244      4.746563
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  H      -8.333541     -3.729738      7.505537
  H      -6.970157     -5.446112      6.671328
  H      -8.398530     -6.390167      7.096751
  H      -7.735243     -7.034666      4.833715
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  H      -9.052615     -2.506182      1.526455
  H      -8.743137     -3.130352     -0.113897
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  H      -1.033412     -9.828367     10.591177
  H      -0.358413     -9.939394      8.952130
  H      -2.848367     -8.293659      9.748559
  H      -1.250749     -7.611230      9.430551
  H      -1.324769     -8.431091      7.081295
  H      -2.873032     -9.230344      7.379187
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  H      -5.026424     -7.328673      6.771718
  H      -4.200816     -5.512534      9.112860
  H      -5.793417     -5.632120      8.370278
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  H      -4.528727     -3.626704      7.554714
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  H      -1.032076     -1.204414      9.223978
  H      -0.442389     -2.825856      9.610470
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  H      -0.255390     -1.389313      6.913263
  H      -0.128443     -4.407727      7.416798
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  H      -1.194521     -6.113931      7.049527
  N      -4.439295     -2.309651      4.942653
  H      -5.215253     -1.815451      4.492700
  H      -3.626837     -1.687641      4.979236
  H      -4.710176     -2.495485      5.912275
  N      -5.543573     -3.176363      2.694434
  N      -6.906224     -2.739354      1.841336
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.830689170471
  N      -2.911837     -3.497707      2.168078
  C      -2.990564     -4.421310      1.058151
  C      -2.674532     -5.811877      1.564280
  N      -3.521115     -6.134709      2.751290
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  N      -5.948037     -5.358635      3.969174
  Mo     -4.207439     -4.198457      3.682146
  N      -2.907244     -4.918312      5.128482
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  H      -1.326173     -6.369675      5.299461
  H      -1.220975     -5.306331      3.892690
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  H      -5.328567     -7.345194      4.446929
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  H      -4.531300     -7.916793      2.172194
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  H      -1.629263     -5.809135      1.898516
  H      -2.803629     -6.597272      0.797613
  C       0.263580     -1.316160     -3.386788
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  C      -1.502909     -2.092801     -1.744999
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  H      -1.013737     -3.084609     -1.721878
  H      -2.554505      0.167708     -0.379713
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  H       1.362274     -1.762831      1.860542
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  H      -8.404596     -6.400370      7.088891
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  H      -9.200700     -6.066493      4.682817
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  H      -9.947769     -4.260987      3.373236
  H      -9.935381     -5.269011      0.469146
  H     -10.979720     -4.009337      1.159678
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  H      -8.769482     -3.140964     -0.116764
  H      -6.027190     -3.688914      1.915587
  H      -7.065862     -4.625795      0.660390
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  H      -1.933750    -10.598382      9.282170
  H      -0.998411     -9.809488     10.570281
  H      -0.335516     -9.912879      8.926012
  H      -2.830303     -8.285161      9.744083
  H      -1.239924     -7.592186      9.414777
  H      -1.326364     -8.411222      7.065003
  H      -2.867883     -9.218629      7.374032
  H      -4.580403     -7.826677      8.429544
  H      -5.036419     -7.330913      6.790353
  H      -4.198746     -5.504721      9.119105
  H      -5.796326     -5.631766      8.390163
  H      -5.016776     -4.745859      6.264441
  H      -4.547658     -3.622903      7.563776
  H      -2.387660     -2.679571      6.248179
  H      -2.582212     -3.617217      9.118253
  H      -3.090315     -2.097689      8.389852
  H      -1.045108     -1.188417      9.209344
  H      -0.448841     -2.808083      9.591409
  H       1.014836     -2.233154      7.744708
  H      -0.282118     -1.372209      6.892151
  H      -0.144567     -4.390065      7.395295
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  H      -1.207694     -6.095794      7.031007
  N      -4.450561     -2.301735      4.940913
  H      -5.220844     -1.807046      4.482301
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  N      -5.539493     -3.149120      2.693627
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.841399259705
  N      -2.896950     -3.507387      2.165005
  C      -2.992948     -4.418483      1.046401
  C      -2.689376     -5.816837      1.540494
  N      -3.531159     -6.136047      2.732295
  C      -4.770246     -6.869034      2.402214
  C      -5.723351     -6.770767      3.582234
  N      -5.947603     -5.371684      3.957618
  Mo     -4.228213     -4.197472      3.659499
  N      -2.926689     -4.909707      5.114590
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  C      -2.702007     -6.863292      3.729827
  H      -1.332857     -6.347215      5.279568
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  H      -1.641476     -5.829473      1.865972
  H      -2.834761     -6.595271      0.770037
  C       0.272622     -1.293072     -3.383880
  C      -0.424766     -1.014397     -2.054357
  C      -1.494650     -2.076214     -1.746307
  N      -2.247043     -1.938661     -0.505847
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  C      -3.210609     -1.016325      2.041460
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  C      -0.570820     -0.685208      3.461732
  C       0.906234     -0.929998      3.801564
  C       1.269325     -2.123060      2.911381
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  H       1.043125     -0.541052     -3.606812
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  H      -1.010022     -3.070426     -1.733513
  H      -2.538048      0.176654     -0.369719
  H      -3.700037     -0.728742     -1.382260
  H      -4.704825     -0.031564      0.819655
  H      -4.673379     -1.789351      0.656438
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  H      -3.890442     -1.130877      2.891644
  H      -1.751062     -2.403436      4.083426
  H      -0.627331     -0.057918      2.558751
  H      -1.105157     -0.140070      4.253912
  H       1.536874     -0.044541      3.632046
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  H      -9.935517     -5.314111      0.485891
  H     -10.999984     -4.068124      1.169670
  H      -9.107431     -2.552030      1.535737
  H      -8.809406     -3.159481     -0.106662
  H      -5.997522     -3.681042      1.895431
  H      -7.068407     -4.610225      0.681265
  H      -6.685859     -3.476539      5.376524
  H      -7.541534     -2.838737      3.949407
  H      -1.922378    -10.579053      9.290034
  H      -1.003971     -9.778795     10.583252
  H      -0.329329     -9.877041      8.943518
  H      -2.845832     -8.273581      9.742676
  H      -1.260300     -7.565875      9.422722
  H      -1.322688     -8.391128      7.074026
  H      -2.859244     -9.210978      7.374331
  H      -4.587882     -7.826227      8.421484
  H      -5.039474     -7.347778      6.776215
  H      -4.234340     -5.500227      9.099569
  H      -5.824665     -5.642244      8.357530
  H      -5.033541     -4.753446      6.235581
  H      -4.582946     -3.627455      7.537214
  H      -2.419155     -2.669654      6.236803
  H      -2.616119     -3.603497      9.107156
  H      -3.133288     -2.089725      8.373250
  H      -1.095529     -1.163921      9.194289
  H      -0.489172     -2.778198      9.581587
  H       0.974725     -2.199392      7.737297
  H      -0.323528     -1.349450      6.877481
  H      -0.168483     -4.364674      7.389440
  H      -0.239133     -3.591706      5.793622
  H      -2.149207     -5.579826      8.424446
  H      -1.222544     -6.077922      7.031454
  N      -4.458948     -2.303280      4.936177
  H      -5.226462     -1.807622      4.474347
  H      -3.642740     -1.687476      4.975151
  H      -4.738868     -2.493733      5.901589
  N      -5.543203     -3.131246      2.687036
  N      -6.880457     -2.737704      1.895985
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.850623395049
  N      -2.879441     -3.518215      2.184235
  C      -2.993498     -4.416898      1.057601
  C      -2.708941     -5.823011      1.542504
  N      -3.551514     -6.132535      2.736323
  C      -4.787691     -6.868825      2.403429
  C      -5.742264     -6.768586      3.579804
  N      -5.962916     -5.368821      3.949851
  Mo     -4.255701     -4.187676      3.654284
  N      -2.957298     -4.892420      5.123826
  C      -1.970932     -5.803406      4.542149
  C      -2.724747     -6.850356      3.742312
  H      -1.355989     -6.320019      5.288392
  H      -1.275735     -5.262553      3.875502
  H      -3.372771     -7.397891      4.435172
  H      -2.061713     -7.566973      3.225507
  H      -6.669469     -7.281342      3.278155
  H      -5.344176     -7.350481      4.435918
  H      -5.232800     -6.392929      1.517061
  H      -4.550389     -7.922196      2.154768
  H      -2.292289     -4.195150      0.241323
  H      -4.008096     -4.378647      0.588080
  H      -1.659609     -5.855311      1.861858
  H      -2.871645     -6.594567      0.768971
  C       0.266640     -1.302722     -3.378490
  C      -0.422215     -1.025619     -2.044204
  C      -1.495905     -2.083230     -1.734848
  N      -2.241124     -1.946903     -0.489864
  C      -3.109538     -0.780609     -0.425400
  C      -4.014603     -0.903043      0.790504
  C      -3.181449     -1.022118      2.063903
  C      -2.192397     -2.217598      2.028994
  C      -1.159820     -2.106877      3.201967
  C      -0.531759     -0.708167      3.467420
  C       0.944792     -0.963795      3.801372
  C       1.295699     -2.159001      2.909402
  C       0.063616     -3.061189      3.055737
  C      -1.408614     -2.076839      0.698686
  C     -11.031153     -0.487349      6.288218
  C     -10.629462     -1.960091      6.227775
  C      -9.202498     -2.137776      5.711486
  N      -8.844330     -3.523368      5.447277
  C      -8.822272     -4.335295      6.662665
  C      -8.052528     -5.633733      6.404987
  C      -8.158967     -6.034104      4.940048
  C      -7.412929     -5.010100      4.012175
  C      -8.066117     -5.053836      2.597425
  C      -9.617233     -4.987970      2.584450
  C      -9.981598     -4.490486      1.186472
  C      -8.903884     -3.448903      0.923393
  C      -7.600180     -4.025552      1.480609
  C      -7.585665     -3.630129      4.710434
  C      -1.209517     -9.715479      9.477282
  C      -1.883170     -8.388953      9.132988
  C      -2.256973     -8.307801      7.643286
  N      -2.986638     -7.125177      7.210071
  C      -4.380466     -7.058958      7.677443
  C      -4.721749     -5.664555      8.193145
  C      -4.375637     -4.599928      7.149560
  C      -2.908855     -4.702223      6.609163
  C      -2.100603     -3.412998      6.963310
  C      -2.300027     -2.815476      8.387765
  C      -0.945015     -2.168678      8.777900
  C      -0.095545     -2.206166      7.495211
  C      -0.571590     -3.488000      6.811895
  C      -2.249769     -5.883845      7.357787
  H       1.039626     -0.553676     -3.602609
  H      -0.457948     -1.293687     -4.207792
  H       0.751346     -2.291749     -3.375945
  H      -0.883574     -0.025084     -2.062917
  H       0.325974     -1.011433     -1.235131
  H      -2.229237     -2.094248     -2.560593
  H      -1.015956     -3.079737     -1.728516
  H      -2.526904      0.169535     -0.355402
  H      -3.698865     -0.735729     -1.355456
  H      -4.678017     -0.025714      0.854780
  H      -4.662604     -1.784315      0.691303
  H      -2.615859     -0.085883      2.201894
  H      -3.853830     -1.126931      2.921128
  H      -1.721738     -2.416985      4.095715
  H      -0.587102     -0.079858      2.564903
  H      -1.058682     -0.159092      4.261898
  H       1.581321     -0.082939      3.630184
  H       1.053439     -1.249786      4.861400
  H       1.408460     -1.823384      1.864973
  H       2.231392     -2.660102      3.198086
  H       0.178743     -3.662541      3.967646
  H      -0.055762     -3.780019      2.234461
  H      -0.742911     -2.940730      0.550566
  H      -0.744177     -1.193779      0.820367
  H     -10.357128      0.082287      6.946797
  H     -10.989170     -0.023917      5.290626
  H     -12.053483     -0.364189      6.672945
  H     -10.730433     -2.408604      7.228946
  H     -11.311879     -2.513724      5.562022
  H      -8.493512     -1.672015      6.441714
  H      -9.094084     -1.581436      4.766258
  H      -9.858354     -4.553399      6.968006
  H      -8.348602     -3.774001      7.504391
  H      -6.995490     -5.487041      6.651450
  H      -8.426196     -6.432005      7.063345
  H      -7.767455     -7.047975      4.794988
  H      -9.220088     -6.071257      4.665342
  H      -7.802331     -6.045480      2.187414
  H     -10.067546     -5.965888      2.802241
  H      -9.964164     -4.276720      3.349148
  H      -9.916035     -5.315684      0.456590
  H     -11.000154     -4.079626      1.127059
  H      -9.118146     -2.540923      1.510449
  H      -8.811282     -3.144391     -0.129411
  H      -5.953945     -3.658902      1.867130
  H      -7.049243     -4.573411      0.688508
  H      -6.718296     -3.487524      5.388685
  H      -7.561678     -2.832852      3.962491
  H      -1.877335    -10.565118      9.266094
  H      -0.928942     -9.767122     10.538946
  H      -0.293657     -9.860842      8.883282
  H      -2.790985     -8.260445      9.745869
  H      -1.213657     -7.552070      9.389491
  H      -1.331913     -8.374409      7.041362
  H      -2.862074     -9.192381      7.377036
  H      -4.558290     -7.800828      8.476363
  H      -5.054341     -7.328560      6.841664
  H      -4.184558     -5.475596      9.136636
  H      -5.793096     -5.615702      8.437204
  H      -5.051526     -4.731751      6.290330
  H      -4.572403     -3.606238      7.581272
  H      -2.426671     -2.651006      6.242706
  H      -2.587509     -3.590344      9.113147
  H      -3.112515     -2.074673      8.388700
  H      -1.061854     -1.153587      9.182541
  H      -0.452730     -2.769423      9.558101
  H       0.985677     -2.190109      7.695025
  H      -0.322338     -1.337054      6.854368
  H      -0.164394     -4.353526      7.358500
  H      -0.258757     -3.575759      5.765258
  H      -2.120310     -5.563408      8.413971
  H      -1.228281     -6.063850      6.998830
  N      -4.479892     -2.289394      4.936408
  H      -5.240232     -1.791143      4.465722
  H      -3.661064     -1.677526      4.976400
  H      -4.767023     -2.477149      5.899785
  N      -5.545664     -3.101042      2.677091
  N      -6.856232     -2.724212      1.912012
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.859237854635
  N      -2.874344     -3.525931      2.175711
  C      -3.007972     -4.411286      1.040208
  C      -2.730995     -5.824823      1.510556
  N      -3.561732     -6.132836      2.713585
  C      -4.793419     -6.880743      2.389900
  C      -5.738953     -6.785172      3.572828
  N      -5.960498     -5.385319      3.940698
  Mo     -4.276483     -4.188824      3.631471
  N      -2.971208     -4.880242      5.105764
  C      -1.978298     -5.776925      4.513577
  C      -2.723038     -6.835879      3.719977
  H      -1.346861     -6.284616      5.251737
  H      -1.301445     -5.224461      3.837423
  H      -3.361306     -7.389056      4.417495
  H      -2.052881     -7.546530      3.204200
  H      -6.666594     -7.301761      3.279939
  H      -5.332628     -7.363542      4.427328
  H      -5.250030     -6.406116      1.508628
  H      -4.549751     -7.931967      2.138842
  H      -2.313717     -4.187156      0.218630
  H      -4.026383     -4.361688      0.579398
  H      -1.677455     -5.872368      1.813680
  H      -2.913766     -6.588095      0.733620
  C       0.304384     -1.284260     -3.365969
  C      -0.388769     -1.014652     -2.032306
  C      -1.472023     -2.066970     -1.738437
  N      -2.222391     -1.936920     -0.495778
  C      -3.085214     -0.766865     -0.427381
  C      -3.993179     -0.887642      0.786814
  C      -3.162704     -1.021377      2.060912
  C      -2.184868     -2.224897      2.021475
  C      -1.157242     -2.126360      3.199806
  C      -0.525250     -0.732576      3.479992
  C       0.946653     -0.998073      3.825458
  C       1.300281     -2.186268      2.925031
  C       0.063127     -3.084504      3.052264
  C      -1.395474     -2.081206      0.695162
  C     -10.974549     -0.468861      6.315651
  C     -10.579319     -1.943559      6.260008
  C      -9.163616     -2.130902      5.716975
  N      -8.813065     -3.520752      5.464376
  C      -8.772377     -4.318402      6.688874
  C      -8.011646     -5.622842      6.433091
  C      -8.144838     -6.039188      4.974123
  C      -7.409659     -5.027893      4.023438
  C      -8.073887     -5.078742      2.615526
  C      -9.626257     -5.029573      2.616019
  C     -10.006106     -4.546301      1.217443
  C      -8.948661     -3.487813      0.941172
  C      -7.634583     -4.035865      1.500099
  C      -7.567421     -3.640101      4.708348
  C      -1.212797     -9.695593      9.474700
  C      -1.897676     -8.376154      9.125152
  C      -2.255875     -8.296890      7.631439
  N      -2.992041     -7.120811      7.191414
  C      -4.391035     -7.067747      7.644895
  C      -4.753932     -5.675271      8.151849
  C      -4.401795     -4.607630      7.113698
  C      -2.927932     -4.695717      6.590490
  C      -2.133130     -3.400416      6.955408
  C      -2.350377     -2.805045      8.377986
  C      -1.004625     -2.145645      8.779345
  C      -0.142773     -2.176748      7.504734
  C      -0.602021     -3.462629      6.817488
  C      -2.267072     -5.873239      7.345303
  H       1.083929     -0.538836     -3.579080
  H      -0.416180     -1.261805     -4.198485
  H       0.781590     -2.276887     -3.370498
  H      -0.842053     -0.010357     -2.043487
  H       0.355705     -1.014441     -1.219739
  H      -2.201384     -2.064477     -2.567727
  H      -0.999338     -3.066967     -1.739265
  H      -2.498792      0.180740     -0.353964
  H      -3.673290     -0.715837     -1.357938
  H      -4.646929     -0.003425      0.854801
  H      -4.649546     -1.761446      0.681276
  H      -2.586941     -0.091574      2.200595
  H      -3.835961     -1.119991      2.917808
  H      -1.726140     -2.441073      4.087816
  H      -0.569665     -0.096475      2.582211
  H      -1.056433     -0.187145      4.274196
  H       1.588960     -0.118658      3.669183
  H       1.042070     -1.294933      4.883924
  H       1.423373     -1.840915      1.884940
  H       2.231299     -2.694161      3.216883
  H       0.169590     -3.696929      3.957773
  H      -0.053413     -3.793578      2.222170
  H      -0.736085     -2.949398      0.543921
  H      -0.724302     -1.204454      0.824973
  H     -10.285369      0.103791      6.955611
  H     -10.950648     -0.014279      5.313425
  H     -11.988573     -0.338828      6.719489
  H     -10.661813     -2.383222      7.266701
  H     -11.276876     -2.500387      5.612875
  H      -8.439193     -1.656723      6.426284
  H      -9.073603     -1.587398      4.762391
  H      -9.803596     -4.529117      7.014847
  H      -8.282339     -3.748874      7.515497
  H      -6.949676     -5.477597      6.661007
  H      -8.377739     -6.412532      7.105784
  H      -7.760157     -7.056184      4.834339
  H      -9.210510     -6.074246      4.718878
  H      -7.802892     -6.065509      2.199007
  H     -10.065608     -6.008304      2.850691
  H      -9.972709     -4.313285      3.376490
  H      -9.929578     -5.374256      0.491799
  H     -11.031386     -4.152477      1.159858
  H      -9.167772     -2.577674      1.525231
  H      -8.866546     -3.185285     -0.112981
  H      -5.935284     -3.668649      1.835320
  H      -7.065562     -4.579920      0.716698
  H      -6.687542     -3.490972      5.369066
  H      -7.555788     -2.851464      3.950135
  H      -1.868515    -10.552399      9.254819
  H      -0.943109     -9.745743     10.539232
  H      -0.289124     -9.828975      8.890151
  H      -2.813301     -8.258175      9.728356
  H      -1.239968     -7.532453      9.389758
  H      -1.323705     -8.353992      7.039694
  H      -2.849597     -9.186997      7.357954
  H      -4.568318     -7.807476      8.446040
  H      -5.053451     -7.350538      6.804611
  H      -4.233298     -5.479860      9.103227
  H      -5.829827     -5.636537      8.378860
  H      -5.064237     -4.742374      6.244532
  H      -4.613081     -3.616098      7.543615
  H      -2.457695     -2.639503      6.232691
  H      -2.636709     -3.582330      9.101209
  H      -3.169464     -2.071624      8.371825
  H      -1.133950     -1.131489      9.182536
  H      -0.513935     -2.741442      9.564351
  H       0.936291     -2.152384      7.715259
  H      -0.368533     -1.310047      6.860214
  H      -0.191630     -4.324634      7.367119
  H      -0.279400     -3.545742      5.773655
  H      -2.149371     -5.551641      8.402541
  H      -1.240753     -6.045326      6.997221
  N      -4.502890     -2.292185      4.924054
  H      -5.264106     -1.794468      4.454383
  H      -3.685794     -1.678000      4.960001
  H      -4.786740     -2.482089      5.887825
  N      -5.571663     -3.097119      2.656373
  N      -6.866742     -2.747965      1.938504
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.867609510741
  N      -2.849140     -3.545754      2.190863
  C      -3.005644     -4.414375      1.044779
  C      -2.748059     -5.837431      1.498484
  N      -3.574074     -6.140017      2.706775
  C      -4.805132     -6.889740      2.385636
  C      -5.748589     -6.791741      3.568935
  N      -5.962717     -5.390584      3.934759
  Mo     -4.286004     -4.193265      3.626597
  N      -2.982270     -4.881691      5.105569
  C      -1.990019     -5.771291      4.503054
  C      -2.732624     -6.836477      3.715066
  H      -1.345270     -6.274401      5.232916
  H      -1.330436     -5.210984      3.816483
  H      -3.367871     -7.389891      4.415401
  H      -2.060057     -7.546710      3.201857
  H      -6.679321     -7.304097      3.278402
  H      -5.344035     -7.370587      4.424014
  H      -5.264134     -6.413019      1.506678
  H      -4.561922     -7.940738      2.133724
  H      -2.314323     -4.190449      0.220562
  H      -4.026150     -4.345231      0.590286
  H      -1.692183     -5.908658      1.788607
  H      -2.953471     -6.589061      0.716150
  C       0.280056     -1.259344     -3.366153
  C      -0.404110     -1.001621     -2.025416
  C      -1.482701     -2.058876     -1.732014
  N      -2.224520     -1.940301     -0.482918
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  C      -8.068887     -5.069108      2.605106
  C      -9.621266     -5.019740      2.600098
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  C      -8.944279     -3.472468      0.926116
  C      -7.629804     -4.013560      1.501454
  C      -7.571755     -3.648411      4.712760
  C      -1.211815     -9.675736      9.497011
  C      -1.898891     -8.358573      9.142863
  C      -2.264009     -8.288285      7.650264
  N      -3.000498     -7.113827      7.206382
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  H       1.056005     -0.510105     -3.579017
  H      -0.446675     -1.232461     -4.193157
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  H      -0.859676      0.001697     -2.025636
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  H      -1.007242     -3.057488     -1.743694
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  H     -10.673675     -2.408455      7.265409
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  H      -8.399410     -6.436585      7.083557
  H      -7.773275     -7.063590      4.810189
  H      -9.219791     -6.075238      4.696035
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  H      -0.290992     -9.811637      8.908597
  H      -2.811518     -8.236688      9.749746
  H      -1.239745     -7.513340      9.398946
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  H      -2.860353     -9.179310      7.385431
  H      -4.568981     -7.784408      8.479678
  H      -5.063966     -7.349015      6.835865
  H      -4.231957     -5.452247      9.108818
  H      -5.831222     -5.613905      8.391061
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  H      -0.192614     -4.322625      7.360703
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  N      -4.510060     -2.296701      4.925566
  H      -5.266250     -1.791021      4.456321
  H      -3.689428     -1.687169      4.960402
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  N      -5.573255     -3.085032      2.634868
  N      -6.840075     -2.744783      1.955265
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.876218676585
  N      -2.857770     -3.543738      2.194355
  C      -3.029742     -4.402686      1.042694
  C      -2.779790     -5.830035      1.486821
  N      -3.595611     -6.129994      2.703292
  C      -4.821259     -6.892052      2.391982
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  N      -5.975426     -5.391666      3.939326
  Mo     -4.314281     -4.183525      3.621964
  N      -3.003165     -4.854030      5.100291
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  C      -2.742943     -6.810999      3.712679
  H      -1.345427     -6.223318      5.213545
  H      -1.369998     -5.162639      3.789255
  H      -3.369560     -7.367185      4.418942
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  H      -2.344015     -4.176796      0.214178
  H      -4.053085     -4.325543      0.594884
  H      -1.721035     -5.914213      1.762866
  H      -3.001762     -6.575177      0.703141
  C       0.355113     -1.292967     -3.336844
  C      -0.341291     -1.027940     -2.003736
  C      -1.438506     -2.070076     -1.725662
  N      -2.193814     -1.943113     -0.485370
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  H       1.144109     -0.554373     -3.538664
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  H      -2.458045      0.177181     -0.342839
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  H      -9.229825     -6.077689      4.725320
  H      -7.806839     -6.062362      2.195915
  H     -10.074466     -6.017486      2.866215
  H      -9.986793     -4.316433      3.368632
  H      -9.915183     -5.404806      0.494769
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  H      -9.216831     -2.579273      1.498563
  H      -8.889280     -3.210576     -0.127467
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  H      -1.819182    -10.533157      9.205396
  H      -0.875238     -9.725594     10.476090
  H      -0.251645     -9.797152      8.814318
  H      -2.769109     -8.245839      9.706517
  H      -1.206344     -7.510199      9.340939
  H      -1.329402     -8.325341      6.990076
  H      -2.847008     -9.164144      7.333882
  H      -4.542837     -7.782542      8.472282
  H      -5.066340     -7.343160      6.838415
  H      -4.212669     -5.453460      9.108586
  H      -5.819769     -5.619672      8.409488
  H      -5.083606     -4.729191      6.257654
  H      -4.626819     -3.598307      7.549739
  H      -2.482145     -2.612702      6.223151
  H      -2.641248     -3.561826      9.091972
  H      -3.186574     -2.052703      8.367606
  H      -1.151191     -1.102858      9.166897
  H      -0.521602     -2.709841      9.544827
  H       0.916488     -2.115484      7.690009
  H      -0.395089     -1.277607      6.840642
  H      -0.203876     -4.291646      7.345126
  H      -0.301362     -3.511432      5.752567
  H      -2.133165     -5.529868      8.375704
  H      -1.252392     -6.020755      6.950165
  N      -4.560130     -2.282189      4.912180
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  H      -3.742165     -1.668815      4.940653
  H      -4.840654     -2.467104      5.877724
  N      -5.615221     -3.080901      2.603470
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.885471484757
  N      -2.835856     -3.560984      2.210410
  C      -3.021008     -4.408513      1.051944
  C      -2.785680     -5.841241      1.484752
  N      -3.599167     -6.139721      2.703808
  C      -4.823945     -6.903268      2.394238
  C      -5.763600     -6.802431      3.579794
  N      -5.973423     -5.398893      3.940910
  Mo     -4.312701     -4.193430      3.628069
  N      -3.007840     -4.861292      5.104394
  C      -2.012690     -5.736944      4.489529
  C      -2.747112     -6.818892      3.715461
  H      -1.343769     -6.225215      5.209791
  H      -1.386303     -5.164583      3.782727
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  H      -2.066753     -7.525896      3.208025
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  H      -5.291579     -6.431944      1.516941
  H      -4.574356     -7.953645      2.146613
  H      -2.336572     -4.181238      0.222685
  H      -4.045106     -4.319391      0.606726
  H      -1.726191     -5.941593      1.752801
  H      -3.021244     -6.577442      0.696808
  C       0.328412     -1.277578     -3.341748
  C      -0.364009     -1.020745     -2.004859
  C      -1.450159     -2.073399     -1.723123
  N      -2.201026     -1.955162     -0.479116
  C      -3.068719     -0.789460     -0.403791
  C      -3.968201     -0.912075      0.817301
  C      -3.128262     -1.050328      2.085860
  C      -2.153015     -2.254771      2.039546
  C      -1.116751     -2.152536      3.211980
  C      -0.496053     -0.753929      3.490494
  C       0.978564     -1.006764      3.833652
  C       1.341518     -2.186880      2.926400
  C       0.112976     -3.097899      3.051243
  C      -1.371534     -2.109406      0.709690
  C     -10.962954     -0.474223      6.357585
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  C      -1.171210     -9.677746      9.417816
  C      -1.869638     -8.359965      9.088381
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  N      -3.008933     -7.099900      7.183887
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  C      -2.153492     -3.379281      6.943460
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  H       1.109330     -0.531145     -3.546254
  H      -0.392517     -1.244423     -4.173611
  H       0.803368     -2.271196     -3.356577
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  H      -2.179432     -2.059669     -2.552417
  H      -0.979357     -3.074224     -1.733988
  H      -2.488850      0.162744     -0.337482
  H      -3.664929     -0.742530     -1.329531
  H      -4.616589     -0.024487      0.892284
  H      -4.626277     -1.783527      0.710471
  H      -2.548457     -0.121750      2.215407
  H      -3.793522     -1.144259      2.949756
  H      -1.679574     -2.479056      4.099998
  H      -0.545079     -0.117763      2.592887
  H      -1.030208     -0.211985      4.285215
  H       1.612434     -0.120566      3.681279
  H       1.076797     -1.307803      4.890043
  H       1.458906     -1.834361      1.887997
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  H      -0.001619     -3.800892      2.215575
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  H      -0.692690     -1.238778      0.839211
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  H     -10.655624     -2.400877      7.286050
  H     -11.284289     -2.496645      5.636084
  H      -8.436576     -1.668331      6.431665
  H      -9.083890     -1.600306      4.772765
  H      -9.815307     -4.539791      7.025576
  H      -8.287466     -3.770745      7.525200
  H      -6.969779     -5.512865      6.666442
  H      -8.408528     -6.435643      7.103450
  H      -7.797624     -7.071657      4.828213
  H      -9.236075     -6.069535      4.717762
  H      -7.798889     -6.057206      2.192938
  H     -10.071679     -6.002672      2.854088
  H      -9.977175     -4.301237      3.354433
  H      -9.885845     -5.396097      0.483233
  H     -11.025185     -4.194690      1.125811
  H      -9.207972     -2.564731      1.477362
  H      -8.857544     -3.211555     -0.140707
  H      -5.798125     -3.681220      1.718323
  H      -7.027215     -4.549048      0.761407
  H      -6.696691     -3.517818      5.386906
  H      -7.559823     -2.863361      3.968236
  H      -1.828469    -10.536612      9.210847
  H      -0.876164     -9.729149     10.475569
  H      -0.261395     -9.804251      8.810446
  H      -2.770657     -8.246326      9.713915
  H      -1.208052     -7.514890      9.338816
  H      -1.345425     -8.333727      6.989949
  H      -2.864160     -9.167041      7.343085
  H      -4.547079     -7.774001      8.492998
  H      -5.080087     -7.344217      6.859854
  H      -4.212336     -5.443327      9.115351
  H      -5.821748     -5.609689      8.421560
  H      -5.088037     -4.730680      6.263175
  H      -4.627194     -3.594397      7.549397
  H      -2.480759     -2.620247      6.218260
  H      -2.649256     -3.558109      9.090924
  H      -3.190948     -2.050951      8.359276
  H      -1.156573     -1.099821      9.159255
  H      -0.531318     -2.705719      9.548399
  H       0.915206     -2.126183      7.696630
  H      -0.390423     -1.288054      6.837349
  H      -0.210464     -4.299950      7.357977
  H      -0.297796     -3.528072      5.761238
  H      -2.136017     -5.534189      8.377650
  H      -1.260477     -6.029780      6.948991
  N      -4.579429     -2.290202      4.908562
  H      -5.334347     -1.778055      4.443756
  H      -3.759593     -1.678937      4.934502
  H      -4.858766     -2.470608      5.875390
  N      -5.617725     -3.086486      2.570839
  N      -6.844028     -2.759331      1.983992
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.895395396642
  N      -2.837402     -3.566008      2.205592
  C      -3.033079     -4.407564      1.044507
  C      -2.804383     -5.842478      1.471260
  N      -3.609572     -6.139092      2.696708
  C      -4.833504     -6.907539      2.396629
  C      -5.771746     -6.802466      3.583536
  N      -5.979138     -5.397937      3.943873
  Mo     -4.318404     -4.194235      3.627316
  N      -3.014585     -4.854317      5.092450
  C      -2.017570     -5.725614      4.472956
  C      -2.751205     -6.813850      3.707056
  H      -1.339176     -6.206779      5.188593
  H      -1.402712     -5.151237      3.758551
  H      -3.375747     -7.369688      4.415723
  H      -2.069797     -7.520129      3.199911
  H      -6.706488     -7.310636      3.299135
  H      -5.365606     -7.378394      4.440271
  H      -5.304541     -6.441057      1.518534
  H      -4.582981     -7.958731      2.153528
  H      -2.352877     -4.179242      0.212213
  H      -4.058995     -4.313808      0.603155
  H      -1.743278     -5.952760      1.729245
  H      -3.052245     -6.574262      0.683138
  C       0.381477     -1.288065     -3.326422
  C      -0.322186     -1.031192     -1.995417
  C      -1.415635     -2.079548     -1.726447
  N      -2.177929     -1.960776     -0.489418
  C      -3.043192     -0.792967     -0.420657
  C      -3.953280     -0.915084      0.792598
  C      -3.125122     -1.055742      2.068752
  C      -2.150798     -2.261532      2.031433
  C      -1.122007     -2.156907      3.210847
  C      -0.494027     -0.760203      3.481053
  C       0.976135     -1.019317      3.838341
  C       1.338395     -2.210726      2.945758
  C       0.102746     -3.112314      3.069264
  C      -1.359538     -2.120215      0.706710
  C     -10.963045     -0.491134      6.410253
  C     -10.580102     -1.967541      6.320804
  C      -9.171004     -2.155115      5.761247
  N      -8.826321     -3.544107      5.497101
  C      -8.786166     -4.355099      6.713955
  C      -8.037736     -5.664403      6.440741
  C      -8.176445     -6.056877      4.974882
  C      -7.429115     -5.040130      4.045997
  C      -8.081426     -5.065787      2.630922
  C      -9.629948     -5.011458      2.615417
  C      -9.990142     -4.547342      1.209422
  C      -8.954610     -3.464373      0.928907
  C      -7.628130     -4.002003      1.546703
  C      -7.578745     -3.663147      4.744643
  C      -1.148732     -9.662388      9.403070
  C      -1.854683     -8.348003      9.076096
  C      -2.254683     -8.267889      7.592790
  N      -3.006580     -7.093155      7.175533
  C      -4.389757     -7.044373      7.673862
  C      -4.750399     -5.646756      8.169360
  C      -4.425483     -4.588261      7.113842
  C      -2.958210     -4.669297      6.569892
  C      -2.170964     -3.368007      6.931674
  C      -2.389471     -2.774110      8.354025
  C      -1.049913     -2.099038      8.750239
  C      -0.189822     -2.126381      7.474287
  C      -0.639858     -3.418375      6.790937
  C      -2.280095     -5.844336      7.312176
  H       1.167494     -0.544587     -3.521932
  H      -0.331587     -1.249872     -4.164824
  H       0.852200     -2.283722     -3.339047
  H      -0.768010     -0.023438     -1.997629
  H       0.414940     -1.047397     -1.176381
  H      -2.136915     -2.060486     -2.562606
  H      -0.949365     -3.082505     -1.734997
  H      -2.462330      0.158246     -0.349321
  H      -3.631704     -0.744175     -1.351237
  H      -4.600527     -0.026293      0.863018
  H      -4.611437     -1.785404      0.677522
  H      -2.546098     -0.127491      2.203062
  H      -3.798641     -1.150259      2.926721
  H      -1.694715     -2.471373      4.096670
  H      -0.530855     -0.133367      2.576404
  H      -1.030760     -0.206216      4.265635
  H       1.616894     -0.138745      3.682123
  H       1.065018     -1.310089      4.898338
  H       1.466546     -1.869267      1.904932
  H       2.268949     -2.714971      3.245410
  H       0.207002     -3.724510      3.975670
  H      -0.009651     -3.822816      2.239740
  H      -0.712726     -2.997592      0.551999
  H      -0.676298     -1.253908      0.841288
  H     -10.263450      0.062427      7.055633
  H     -10.944373     -0.016687      5.417119
  H     -11.972655     -0.362580      6.825441
  H     -10.655451     -2.427054      7.319082
  H     -11.288332     -2.506212      5.669850
  H      -8.438142     -1.685973      6.465635
  H      -9.089299     -1.606243      4.808829
  H      -9.817768     -4.561696      7.040715
  H      -8.288093     -3.797617      7.543765
  H      -6.974371     -5.536065      6.670493
  H      -8.414275     -6.459362      7.101318
  H      -7.806270     -7.077263      4.819244
  H      -9.242368     -6.070240      4.717987
  H      -7.808737     -6.044905      2.199912
  H     -10.081437     -5.982582      2.859718
  H      -9.979478     -4.281570      3.362420
  H      -9.882137     -5.379101      0.491888
  H     -11.024665     -4.179706      1.131790
  H      -9.215776     -2.546747      1.479388
  H      -8.850751     -3.204870     -0.133566
  H      -5.751344     -3.687935      1.684465
  H      -7.024674     -4.530449      0.771152
  H      -6.701975     -3.532081      5.410750
  H      -7.561229     -2.862251      3.995932
  H      -1.802742    -10.524408      9.198949
  H      -0.849250     -9.712013     10.459654
  H      -0.240780     -9.784701      8.792050
  H      -2.753624     -8.238482      9.705348
  H      -1.196033     -7.499788      9.323637
  H      -1.339053     -8.320575      6.975568
  H      -2.853122     -9.159693      7.335224
  H      -4.534832     -7.769708      8.495086
  H      -5.078424     -7.349490      6.862749
  H      -4.211470     -5.435630      9.107245
  H      -5.821472     -5.612736      8.418524
  H      -5.096550     -4.738069      6.254327
  H      -4.640243     -3.593976      7.535127
  H      -2.506912     -2.611290      6.207418
  H      -2.662199     -3.554824      9.079032
  H      -3.217031     -2.050315      8.351373
  H      -1.188952     -1.084804      9.150185
  H      -0.551422     -2.686463      9.536696
  H       0.889164     -2.093898      7.684340
  H      -0.424179     -1.263430      6.828391
  H      -0.221860     -4.274926      7.343614
  H      -0.314610     -3.502342      5.747849
  H      -2.140683     -5.523664      8.367352
  H      -1.262958     -6.015249      6.938102
  N      -4.609438     -2.287728      4.890800
  H      -5.366200     -1.771813      4.432576
  H      -3.789145     -1.676327      4.908254
  H      -4.881502     -2.461117      5.861213
  N      -5.633845     -3.089090      2.533454
  N      -6.854230     -2.749415      1.999909
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.905593955369
  N      -2.829856     -3.577257      2.203020
  C      -3.025045     -4.417567      1.041555
  C      -2.800247     -5.853755      1.467179
  N      -3.603299     -6.148402      2.694406
  C      -4.826191     -6.920220      2.397501
  C      -5.768792     -6.811369      3.581286
  N      -5.976816     -5.406598      3.942007
  Mo     -4.313069     -4.206225      3.627495
  N      -3.021336     -4.859041      5.087255
  C      -2.017311     -5.728753      4.473342
  C      -2.747057     -6.820968      3.709765
  H      -1.338311     -6.203052      5.192565
  H      -1.401752     -5.155438      3.759679
  H      -3.375019     -7.374402      4.416971
  H      -2.063449     -7.528542      3.207423
  H      -6.703403     -7.317571      3.292871
  H      -5.367215     -7.388130      4.439631
  H      -5.295780     -6.458385      1.516000
  H      -4.574663     -7.972349      2.159701
  H      -2.344195     -4.188280      0.210110
  H      -4.049581     -4.323867      0.596069
  H      -1.738951     -5.970337      1.721994
  H      -3.053808     -6.583954      0.679521
  C       0.403449     -1.294770     -3.322148
  C      -0.310358     -1.039405     -1.996375
  C      -1.398303     -2.094523     -1.731831
  N      -2.169509     -1.977790     -0.500198
  C      -3.043805     -0.816218     -0.440548
  C      -3.960475     -0.941853      0.767275
  C      -3.140313     -1.071000      2.049675
  C      -2.154509     -2.267597      2.023028
  C      -1.131650     -2.148563      3.205318
  C      -0.527363     -0.742791      3.481484
  C       0.945095     -0.979501      3.844173
  C       1.330126     -2.160555      2.947509
  C       0.109066     -3.082890      3.061697
  C      -1.357410     -2.128215      0.701591
  C     -10.912325     -0.468401      6.435928
  C     -10.542226     -1.947649      6.341047
  C      -9.137535     -2.145766      5.774270
  N      -8.804766     -3.537143      5.508104
  C      -8.766176     -4.349297      6.724386
  C      -8.030451     -5.665132      6.447976
  C      -8.176920     -6.055301      4.982798
  C      -7.425121     -5.043530      4.052635
  C      -8.081691     -5.059085      2.641701
  C      -9.628280     -4.997859      2.625537
  C      -9.984018     -4.531742      1.219686
  C      -8.944452     -3.451033      0.948603
  C      -7.617589     -3.992303      1.565801
  C      -7.560732     -3.665992      4.751154
  C      -1.141899     -9.670225      9.382635
  C      -1.852965     -8.357098      9.062133
  C      -2.257489     -8.273533      7.580354
  N      -3.013689     -7.099592      7.168399
  C      -4.395668     -7.056519      7.670683
  C      -4.761286     -5.660041      8.165445
  C      -4.441275     -4.600664      7.109052
  C      -2.973302     -4.675149      6.567631
  C      -2.193406     -3.370203      6.933379
  C      -2.424949     -2.775553      8.353492
  C      -1.091555     -2.093740      8.758806
  C      -0.221046     -2.120640      7.489858
  C      -0.661592     -3.415210      6.805614
  C      -2.291122     -5.848734      7.308207
  H       1.185557     -0.546459     -3.514808
  H      -0.304493     -1.263731     -4.165161
  H       0.881141     -2.287141     -3.329271
  H      -0.763145     -0.034769     -2.004049
  H       0.421535     -1.048156     -1.172554
  H      -2.114196     -2.082289     -2.572724
  H      -0.925476     -3.094419     -1.734896
  H      -2.470924      0.139769     -0.369106
  H      -3.626914     -0.774853     -1.374869
  H      -4.616073     -0.058739      0.830838
  H      -4.609977     -1.818446      0.649518
  H      -2.571651     -0.136441      2.185214
  H      -3.819665     -1.170831      2.902648
  H      -1.701119     -2.474908      4.088826
  H      -0.569924     -0.115219      2.577612
  H      -1.075969     -0.198845      4.264805
  H       1.571988     -0.087845      3.694577
  H       1.035118     -1.273605      4.903319
  H       1.456738     -1.812125      1.908792
  H       2.267658     -2.650963      3.248311
  H       0.220403     -3.698964      3.964408
  H       0.011345     -3.789789      2.227175
  H      -0.705636     -3.003327      0.554094
  H      -0.679254     -1.258031      0.835657
  H     -10.205241      0.077740      7.079456
  H     -10.894411      0.008417      5.443942
  H     -11.918873     -0.332334      6.856122
  H     -10.616366     -2.408857      7.338640
  H     -11.258147     -2.479003      5.692533
  H      -8.397529     -1.682158      6.475025
  H      -9.056248     -1.597372      4.821560
  H      -9.798161     -4.547188      7.055208
  H      -8.259703     -3.796396      7.552251
  H      -6.965524     -5.546606      6.673976
  H      -8.411754     -6.456564      7.110086
  H      -7.815857     -7.078629      4.825020
  H      -9.243556     -6.059963      4.728913
  H      -7.813066     -6.037029      2.204348
  H     -10.085304     -5.967500      2.865597
  H      -9.976178     -4.268015      3.373342
  H      -9.875527     -5.361969      0.500298
  H     -11.018312     -4.163485      1.140229
  H      -9.210445     -2.536407      1.499452
  H      -8.836409     -3.191731     -0.113663
  H      -5.693576     -3.703299      1.665243
  H      -7.018426     -4.510721      0.779824
  H      -6.681527     -3.542580      5.415072
  H      -7.537582     -2.866022      4.000603
  H      -1.793693    -10.533698      9.177620
  H      -0.839102     -9.722489     10.438126
  H      -0.235362     -9.787839      8.768606
  H      -2.750319     -8.252610      9.694484
  H      -1.196388     -7.507548      9.310605
  H      -1.343448     -8.321933      6.960397
  H      -2.854183     -9.166133      7.321630
  H      -4.535341     -7.781491      8.493138
  H      -5.085601     -7.364909      6.861861
  H      -4.223051     -5.446127      9.103087
  H      -5.832025     -5.630298      8.415753
  H      -5.111004     -4.755502      6.249277
  H      -4.661369     -3.606910      7.528032
  H      -2.527600     -2.616230      6.205703
  H      -2.699103     -3.556926      9.077196
  H      -3.255862     -2.055731      8.344410
  H      -1.238127     -1.079021      9.154758
  H      -0.597109     -2.676780      9.551031
  H       0.856039     -2.084463      7.708530
  H      -0.453526     -1.259495      6.840769
  H      -0.246074     -4.269458      7.363937
  H      -0.327618     -3.501211      5.765777
  H      -2.153632     -5.530662      8.364222
  H      -1.273309     -6.014818      6.933906
  N      -4.636347     -2.298422      4.872002
  H      -5.394342     -1.782560      4.415007
  H      -3.817043     -1.685245      4.884683
  H      -4.906326     -2.464704      5.844493
  N      -5.635739     -3.102268      2.502920
  N      -6.862907     -2.743719      2.025916
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.915149367081
  N      -2.828998     -3.586842      2.186451
  C      -3.024840     -4.427192      1.025317
  C      -2.805202     -5.865169      1.450910
  N      -3.604822     -6.154571      2.680910
  C      -4.829693     -6.926744      2.389535
  C      -5.773762     -6.811944      3.571694
  N      -5.980060     -5.407414      3.932297
  Mo     -4.311940     -4.213508      3.615137
  N      -3.028234     -4.858057      5.069440
  C      -2.019418     -5.727340      4.458002
  C      -2.747731     -6.823600      3.699044
  H      -1.338187     -6.194771      5.178487
  H      -1.403739     -5.154507      3.744018
  H      -3.376211     -7.373936      4.407806
  H      -2.064139     -7.532804      3.199064
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  H      -1.743789     -5.989826      1.701712
  H      -3.066909     -6.594081      0.664940
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  C      -8.093725     -5.033189      2.648564
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  C      -7.556125     -3.675517      4.774616
  C      -1.119174     -9.641501      9.391188
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  N      -3.009156     -7.095782      7.164112
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  H       1.252022     -0.560508     -3.491826
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  H      -8.411971     -6.496450      7.094555
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.923512854065
  N      -2.825061     -3.597136      2.177706
  C      -3.015021     -4.440503      1.017747
  C      -2.799579     -5.878354      1.448111
  N      -3.601187     -6.161689      2.677455
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  Mo     -4.310754     -4.221063      3.606463
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  C      -2.748185     -6.825691      3.703020
  H      -1.344979     -6.187246      5.187464
  H      -1.405492     -5.153408      3.749248
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  H      -5.289530     -6.480999      1.494576
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  H      -1.738867     -6.007811      1.699656
  H      -3.063607     -6.607913      0.663762
  C       0.515319     -1.338109     -3.299549
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  C      -1.321669     -2.132823     -1.748170
  N      -2.121554     -2.012089     -0.535322
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  H      -2.429577      0.105626     -0.421799
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  H      -8.358440     -1.734429      6.560909
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  H      -7.853324     -5.977925      2.179123
  H     -10.117836     -5.901403      2.873238
  H      -9.990130     -4.210983      3.404855
  H      -9.909405     -5.258156      0.511791
  H     -11.040218     -4.060633      1.173709
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  H      -8.846896     -3.074091     -0.047398
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  H      -7.039995     -4.413084      0.800499
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  H      -0.782177     -9.678361     10.423275
  H      -0.184623     -9.737326      8.751582
  H      -2.718497     -8.238514      9.685516
  H      -1.177906     -7.470836      9.293853
  H      -1.321690     -8.292698      6.945877
  H      -2.818898     -9.157243      7.314129
  H      -4.514630     -7.789299      8.494853
  H      -5.075738     -7.398919      6.861088
  H      -4.245907     -5.445613      9.083912
  H      -5.849442     -5.659974      8.395118
  H      -5.132104     -4.795015      6.219238
  H      -4.713973     -3.626637      7.487994
  H      -2.588195     -2.603734      6.192977
  H      -2.759201     -3.550710      9.061987
  H      -3.339894     -2.059361      8.328187
  H      -1.346239     -1.044616      9.147546
  H      -0.677944     -2.629496      9.550203
  H       0.775375     -2.011868      7.715172
  H      -0.544749     -1.210757      6.841029
  H      -0.285326     -4.217236      7.363526
  H      -0.371780     -3.448929      5.764852
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  H      -1.281651     -5.983796      6.929627
  N      -4.674360     -2.313001      4.827663
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  H      -3.856476     -1.697713      4.834155
  H      -4.946076     -2.466662      5.801986
  N      -5.645491     -3.105201      2.448429
  N      -6.884483     -2.711747      2.105715
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.930492301482
  N      -2.817125     -3.612056      2.163751
  C      -3.001975     -4.458927      1.005061
  C      -2.793132     -5.896192      1.441443
  N      -3.597910     -6.170520      2.670152
  C      -4.824684     -6.939308      2.373178
  C      -5.786857     -6.810736      3.537634
  N      -5.988013     -5.406409      3.897493
  Mo     -4.304160     -4.228091      3.592706
  N      -3.041294     -4.855780      5.058743
  C      -2.027653     -5.731147      4.458872
  C      -2.751041     -6.832099      3.702281
  H      -1.350168     -6.189995      5.188533
  H      -1.406895     -5.160045      3.747577
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  H      -5.278766     -6.489503      1.476995
  H      -4.578342     -7.996578      2.154164
  H      -2.309383     -4.238770      0.180400
  H      -4.016094     -4.364701      0.535881
  H      -1.733369     -6.031721      1.693906
  H      -3.060098     -6.626518      0.658897
  C       0.565408     -1.355442     -3.293257
  C      -0.194618     -1.094384     -1.994867
  C      -1.283518     -2.155307     -1.759239
  N      -2.097624     -2.035488     -0.555696
  C      -2.982706     -0.880941     -0.536093
  C      -3.938808     -1.005605      0.639853
  C      -3.163762     -1.112691      1.952193
  C      -2.160272     -2.293162      1.974238
  C      -1.173805     -2.139569      3.183504
  C      -0.585853     -0.723602      3.443573
  C       0.875226     -0.943497      3.859087
  C       1.294882     -2.143831      3.004909
  C       0.075033     -3.069800      3.102140
  C      -1.325048     -2.169660      0.673745
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  C      -1.808210     -8.313156      9.055178
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  N      -3.004029     -7.090923      7.161075
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  C      -4.484422     -4.631540      7.068052
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  C      -2.268089     -3.345392      6.916481
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  H       1.348305     -0.603299     -3.466462
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  H      -0.804171     -3.151826     -1.739069
  H      -2.420935      0.080485     -0.452681
  H      -3.532778     -0.851858     -1.490646
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  H      -4.572265     -1.891941      0.505246
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  H      -1.767579     -2.443921      4.059294
  H      -0.600334     -0.121065      2.521804
  H      -1.162685     -0.162786      4.193750
  H       1.501980     -0.052111      3.707726
  H       0.934265     -1.211827      4.926906
  H       1.453822     -1.820808      1.962486
  H       2.224401     -2.621578      3.347837
  H       0.160429     -3.663812      4.022372
  H       0.009128     -3.797387      2.283230
  H      -0.668557     -3.045339      0.557572
  H      -0.652622     -1.296470      0.817267
  H     -10.112427     -0.021585      7.324590
  H     -10.811341      0.001197      5.692198
  H     -11.833972     -0.389879      7.092199
  H     -10.564946     -2.510506      7.464295
  H     -11.218534     -2.488891      5.821997
  H      -8.339615     -1.773796      6.616935
  H      -9.009836     -1.609328      4.974729
  H      -9.781439     -4.642200      7.083667
  H      -8.228680     -3.938057      7.602498
  H      -6.967513     -5.667987      6.643185
  H      -8.426451     -6.573790      7.042673
  H      -7.844569     -7.099993      4.730228
  H      -9.259678     -6.064377      4.687537
  H      -7.882059     -5.935120      2.154458
  H     -10.141737     -5.846136      2.869433
  H      -9.995298     -4.162581      3.416402
  H      -9.934760     -5.177918      0.511262
  H     -11.052314     -3.976225      1.188872
  H      -9.200036     -2.406012      1.619720
  H      -8.850322     -2.988760     -0.020179
  H      -5.545268     -3.706392      1.603617
  H      -7.052540     -4.354869      0.807655
  H      -6.662894     -3.618756      5.476377
  H      -7.503345     -2.864307      4.089726
  H      -1.698845    -10.487067      9.182129
  H      -0.756673     -9.647827     10.433070
  H      -0.160193     -9.708616      8.761110
  H      -2.704208     -8.225178      9.691843
  H      -1.169760     -7.447665      9.295689
  H      -1.309509     -8.279472      6.951026
  H      -2.800578     -9.152715      7.323544
  H      -4.504190     -7.790091      8.503858
  H      -5.068270     -7.418339      6.867053
  H      -4.260116     -5.441263      9.076529
  H      -5.859302     -5.672617      8.383257
  H      -5.137835     -4.818980      6.202662
  H      -4.740088     -3.637385      7.464336
  H      -2.619253     -2.598660      6.189525
  H      -2.781359     -3.550522      9.057204
  H      -3.378236     -2.065026      8.324566
  H      -1.396830     -1.028543      9.144091
  H      -0.710727     -2.605764      9.547110
  H       0.736110     -1.970910      7.712287
  H      -0.593370     -1.184698      6.838856
  H      -0.299218     -4.188703      7.358145
  H      -0.394762     -3.418860      5.760031
  H      -2.185257     -5.495712      8.352837
  H      -1.283555     -5.970237      6.936502
  N      -4.683387     -2.318175      4.803123
  H      -5.440655     -1.815025      4.329960
  H      -3.866793     -1.701258      4.808528
  H      -4.960397     -2.464002      5.777106
  N      -5.644909     -3.104662      2.417594
  N      -6.883185     -2.696310      2.142413
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.935851349604
  N      -2.815807     -3.620166      2.147639
  C      -2.995128     -4.472577      0.991584
  C      -2.789076     -5.907376      1.437641
  N      -3.595966     -6.172104      2.666750
  C      -4.823257     -6.938060      2.365101
  C      -5.798059     -6.801870      3.517016
  N      -5.995264     -5.397012      3.875831
  Mo     -4.298509     -4.227429      3.580882
  N      -3.041425     -4.848471      5.055403
  C      -2.030333     -5.730247      4.459546
  C      -2.755154     -6.831623      3.704855
  H      -1.355007     -6.188185      5.191896
  H      -1.407632     -5.161793      3.747409
  H      -3.398432     -7.365826      4.413545
  H      -2.071829     -7.553860      3.223617
  H      -6.732650     -7.288334      3.192987
  H      -5.440037     -7.390806      4.387510
  H      -5.266964     -6.492499      1.461605
  H      -4.578828     -7.997423      2.154005
  H      -2.297740     -4.257207      0.169520
  H      -4.005878     -4.380300      0.515316
  H      -1.729735     -6.045124      1.690910
  H      -3.056649     -6.641141      0.658597
  C       0.631063     -1.396773     -3.283581
  C      -0.142888     -1.127599     -1.995105
  C      -1.240438     -2.181821     -1.769808
  N      -2.068394     -2.054681     -0.576424
  C      -2.947526     -0.895345     -0.570294
  C      -3.918449     -1.012683      0.594309
  C      -3.160623     -1.118459      1.917026
  C      -2.159930     -2.300217      1.954182
  C      -1.180839     -2.144741      3.167722
  C      -0.605798     -0.725724      3.439458
  C       0.854815     -0.937881      3.860138
  C       1.287835     -2.125367      2.994676
  C       0.075587     -3.062988      3.076531
  C      -1.310565     -2.188720      0.662040
  C     -10.834160     -0.569750      6.749891
  C     -10.493507     -2.045024      6.547310
  C      -9.096802     -2.228857      5.956104
  N      -8.787839     -3.605351      5.600097
  C      -8.754877     -4.495228      6.760515
  C      -8.043236     -5.802690      6.393382
  C      -8.200435     -6.091826      4.906832
  C      -7.446137     -5.030689      4.032507
  C      -8.144883     -4.937726      2.643301
  C      -9.690135     -4.828108      2.657796
  C     -10.050927     -4.295571      1.269870
  C      -8.976921     -3.240758      1.049154
  C      -7.673792     -3.814378      1.619341
  C      -7.548986     -3.705201      4.832074
  C      -1.039701     -9.584645      9.376847
  C      -1.789160     -8.294004      9.053846
  C      -2.211411     -8.232874      7.576083
  N      -3.000495     -7.080630      7.164293
  C      -4.379554     -7.071828      7.678487
  C      -4.788168     -5.675795      8.138973
  C      -4.491658     -4.632338      7.060377
  C      -3.015952     -4.662309      6.544870
  C      -2.283682     -3.332917      6.915820
  C      -2.557180     -2.744191      8.332112
  C      -1.254811     -2.015338      8.755069
  C      -0.363632     -2.018316      7.500473
  C      -0.749493     -3.328195      6.812984
  C      -2.309744     -5.811205      7.297857
  H       1.420017     -0.649411     -3.449771
  H      -0.037375     -1.377629     -4.158476
  H       1.110501     -2.387892     -3.257137
  H      -0.596021     -0.123967     -2.034614
  H       0.550455     -1.125693     -1.138704
  H      -1.916706     -2.179358     -2.642909
  H      -0.766886     -3.180878     -1.741385
  H      -2.382018      0.063396     -0.481857
  H      -3.485354     -0.865702     -1.531757
  H      -4.586859     -0.137514      0.616419
  H      -4.552325     -1.897724      0.452972
  H      -2.612174     -0.174460      2.070173
  H      -3.883443     -1.220123      2.733158
  H      -1.772988     -2.462649      4.040025
  H      -0.620456     -0.117759      2.521327
  H      -1.190489     -0.174550      4.190587
  H       1.474966     -0.039897      3.721324
  H       0.910246     -1.217743      4.925204
  H       1.447841     -1.789374      1.956548
  H       2.220142     -2.598946      3.335824
  H       0.164101     -3.670432      3.987327
  H       0.016424     -3.777899      2.245863
  H      -0.659255     -3.070004      0.557551
  H      -0.633778     -1.319567      0.808673
  H     -10.113627     -0.084394      7.426208
  H     -10.811551     -0.023882      5.794378
  H     -11.835755     -0.444213      7.184726
  H     -10.569986     -2.575263      7.509612
  H     -11.223756     -2.515386      5.868458
  H      -8.343590     -1.820098      6.676774
  H      -9.015459     -1.623084      5.038929
  H      -9.787328     -4.697263      7.087217
  H      -8.233187     -4.006315      7.619039
  H      -6.975516     -5.718880      6.624174
  H      -8.436740     -6.629949      7.002301
  H      -7.854925     -7.107197      4.680802
  H      -9.268064     -6.069012      4.659735
  H      -7.917976     -5.894204      2.135329
  H     -10.172590     -5.790837      2.874294
  H     -10.004159     -4.114088      3.434692
  H      -9.970243     -5.100949      0.519517
  H     -11.073776     -3.895076      1.213941
  H      -9.200744     -2.345722      1.652625
  H      -8.865214     -2.910491      0.005780
  H      -5.508370     -3.716529      1.577678
  H      -7.075464     -4.303128      0.817756
  H      -6.669386     -3.648492      5.502368
  H      -7.504231     -2.860961      4.131397
  H      -1.670014    -10.467050      9.186226
  H      -0.724012     -9.620373     10.429185
  H      -0.137113     -9.683426      8.753924
  H      -2.681594     -8.207971      9.695732
  H      -1.152766     -7.425301      9.288072
  H      -1.303058     -8.264007      6.946715
  H      -2.788972     -9.141354      7.330070
  H      -4.489412     -7.779109      8.520821
  H      -5.063302     -7.425552      6.883572
  H      -4.263187     -5.425981      9.075011
  H      -5.861011     -5.670699      8.383209
  H      -5.139985     -4.832059      6.194382
  H      -4.757788     -3.637019      7.447048
  H      -2.630614     -2.589365      6.183596
  H      -2.814343     -3.533447      9.053106
  H      -3.411924     -2.053205      8.310549
  H      -1.442796     -1.003823      9.141375
  H      -0.753609     -2.575831      9.559170
  H       0.708085     -1.944875      7.735122
  H      -0.615431     -1.167239      6.845486
  H      -0.316165     -4.168231      7.379051
  H      -0.400247     -3.403229      5.777860
  H      -2.186701     -5.478871      8.351052
  H      -1.283829     -5.954376      6.936156
  N      -4.697768     -2.314165      4.777954
  H      -5.455177     -1.823338      4.291754
  H      -3.885739     -1.691319      4.781412
  H      -4.980916     -2.450744      5.751397
  N      -5.651193     -3.105369      2.386630
  N      -6.888362     -2.687574      2.176586
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.939381246981
  N      -2.794527     -3.637106      2.145488
  C      -2.956828     -4.495545      0.990682
  C      -2.756597     -5.928097      1.445805
  N      -3.577223     -6.184921      2.667173
  C      -4.804796     -6.942394      2.347187
  C      -5.802203     -6.800458      3.478308
  N      -5.993230     -5.395446      3.840930
  Mo     -4.276733     -4.238925      3.573563
  N      -3.034661     -4.863794      5.061969
  C      -2.027508     -5.756464      4.475999
  C      -2.755680     -6.851366      3.715576
  H      -1.362312     -6.220112      5.214598
  H      -1.394334     -5.194240      3.768251
  H      -3.414270     -7.375909      4.417938
  H      -2.075295     -7.583151      3.244514
  H      -6.733028     -7.274987      3.127029
  H      -5.471196     -7.400648      4.352570
  H      -5.228558     -6.495689      1.434678
  H      -4.564264     -8.003722      2.141274
  H      -2.247312     -4.282666      0.178217
  H      -3.960121     -4.404735      0.499167
  H      -1.699836     -6.067430      1.709091
  H      -3.017083     -6.664707      0.666980
  C       0.642807     -1.393320     -3.286961
  C      -0.149195     -1.128474     -2.008531
  C      -1.217899     -2.210656     -1.777388
  N      -2.059530     -2.091539     -0.592591
  C      -2.970314     -0.957095     -0.609380
  C      -3.948590     -1.087995      0.547230
  C      -3.200505     -1.154317      1.877914
  C      -2.166325     -2.305315      1.941518
  C      -1.207136     -2.103383      3.167008
  C      -0.637891     -0.673935      3.391925
  C       0.814092     -0.867152      3.851587
  C       1.264828     -2.091997      3.049452
  C       0.050230     -3.025130      3.147309
  C      -1.309264     -2.190659      0.654030
  C     -10.768551     -0.569340      6.817522
  C     -10.442877     -2.044471      6.590424
  C      -9.052747     -2.232089      5.984723
  N      -8.757859     -3.606520      5.610085
  C      -8.723069     -4.511860      6.758649
  C      -8.030030     -5.823121      6.367848
  C      -8.202124     -6.090225      4.878416
  C      -7.443696     -5.024555      4.012910
  C      -8.156824     -4.904485      2.629977
  C      -9.700465     -4.766166      2.654711
  C     -10.058435     -4.216028      1.271197
  C      -8.969727     -3.174581      1.052787
  C      -7.679825     -3.770802      1.618797
  C      -7.526260     -3.708436      4.830847
  C      -1.032516     -9.590356      9.384173
  C      -1.785229     -8.301330      9.062171
  C      -2.214736     -8.243328      7.586379
  N      -3.006320     -7.091995      7.176441
  C      -4.384289     -7.085626      7.694468
  C      -4.800065     -5.687352      8.141153
  C      -4.502911     -4.654046      7.053651
  C      -3.022231     -4.676508      6.550179
  C      -2.303581     -3.341072      6.923656
  C      -2.576813     -2.763260      8.344554
  C      -1.281727     -2.019652      8.763939
  C      -0.398476     -2.003896      7.503919
  C      -0.770000     -3.315553      6.811236
  C      -2.316421     -5.821621      7.307879
  H       1.411114     -0.625713     -3.457662
  H      -0.018701     -1.406081     -4.167234
  H       1.150569     -2.369578     -3.242273
  H      -0.630614     -0.138970     -2.065998
  H       0.536993     -1.094515     -1.147028
  H      -1.886608     -2.239603     -2.655855
  H      -0.716040     -3.195097     -1.731116
  H      -2.432591      0.017945     -0.526719
  H      -3.498937     -0.953964     -1.576374
  H      -4.643466     -0.233389      0.551923
  H      -4.553641     -1.994470      0.410465
  H      -2.682264     -0.192618      2.024775
  H      -3.928727     -1.268337      2.688157
  H      -1.818289     -2.382966      4.039206
  H      -0.632739     -0.105041      2.448938
  H      -1.238641     -0.092687      4.106855
  H       1.437503      0.023979      3.685852
  H       0.847813     -1.099479      4.928606
  H       1.447222     -1.802905      2.000938
  H       2.189223     -2.549719      3.431381
  H       0.117003     -3.588718      4.088014
  H       0.009061     -3.779018      2.351355
  H      -0.638443     -3.058255      0.565016
  H      -0.653878     -1.304120      0.793820
  H     -10.038569     -0.100661      7.495468
  H     -10.748004     -0.009707      5.869942
  H     -11.765748     -0.441397      7.261661
  H     -10.516000     -2.588504      7.545226
  H     -11.182890     -2.498272      5.910852
  H      -8.290122     -1.837082      6.703088
  H      -8.975642     -1.616131      5.073863
  H      -9.754395     -4.707113      7.092924
  H      -8.187798     -4.040172      7.618427
  H      -6.958938     -5.757321      6.592348
  H      -8.430078     -6.654048      6.967461
  H      -7.871362     -7.106366      4.637470
  H      -9.271223     -6.051037      4.640190
  H      -7.948182     -5.857836      2.108437
  H     -10.200721     -5.720433      2.867788
  H      -9.996339     -4.051479      3.437928
  H      -9.991122     -5.017482      0.515391
  H     -11.075664     -3.800720      1.222236
  H      -9.177131     -2.278610      1.662231
  H      -8.852263     -2.837427      0.012286
  H      -5.458782     -3.747641      1.551906
  H      -7.081310     -4.263009      0.818939
  H      -6.640437     -3.669540      5.494286
  H      -7.477051     -2.856742      4.140150
  H      -1.662675    -10.473956      9.198561
  H      -0.711691     -9.623317     10.435069
  H      -0.132844     -9.689274      8.757033
  H      -2.674496     -8.215174      9.708428
  H      -1.148641     -7.431393      9.291282
  H      -1.309305     -8.275261      6.952815
  H      -2.793212     -9.152395      7.344753
  H      -4.488960     -7.785246      8.544013
  H      -5.068026     -7.450463      6.904538
  H      -4.280079     -5.427382      9.077160
  H      -5.874235     -5.684181      8.380110
  H      -5.142036     -4.868705      6.184637
  H      -4.781133     -3.656563      7.426262
  H      -2.664754     -2.597731      6.197959
  H      -2.819297     -3.559453      9.062978
  H      -3.440525     -2.083270      8.331724
  H      -1.480889     -1.012616      9.156386
  H      -0.768156     -2.577534      9.562043
  H       0.673599     -1.915972      7.731993
  H      -0.667663     -1.152984      6.855705
  H      -0.321618     -4.152937      7.369305
  H      -0.426816     -3.379390      5.772799
  H      -2.195696     -5.485948      8.360321
  H      -1.289629     -5.965258      6.948087
  N      -4.702005     -2.325722      4.760522
  H      -5.455067     -1.846794      4.255613
  H      -3.895084     -1.696465      4.770849
  H      -5.000225     -2.455798      5.730232
  N      -5.635839     -3.119487      2.354724
  N      -6.870858     -2.689787      2.198376
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.941602877355
  N      -2.801713     -3.644615      2.112875
  C      -2.961844     -4.516143      0.966710
  C      -2.759400     -5.942003      1.441503
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  H      -3.965151     -4.431628      0.474914
  H      -1.702219     -6.077470      1.705692
  H      -3.018812     -6.689590      0.672869
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  C      -0.074454     -1.165201     -2.013581
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  C      -8.201102     -6.103388      4.846582
  C      -7.455739     -5.008219      4.008878
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  C      -7.713981     -3.730456      1.623525
  C      -7.544653     -3.718303      4.867217
  C      -1.013480     -9.552741      9.386390
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  H       1.510942     -0.689358     -3.444447
  H       0.067266     -1.424616     -4.173920
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  H      -0.528522     -0.162506     -2.064625
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  H     -10.538566     -2.703594      7.615192
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  H      -5.063379     -7.446145      6.918521
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  H      -0.349635     -4.117118      7.419732
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  H      -3.905655     -1.661608      4.717919
  H      -5.005985     -2.414074      5.688445
  N      -5.640406     -3.128467      2.313379
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.942949032226
  N      -2.788078     -3.633321      2.120999
  C      -2.920221     -4.508983      0.973827
  C      -2.713112     -5.932198      1.452472
  N      -3.555212     -6.180471      2.660371
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  Mo     -4.245567     -4.233627      3.557925
  N      -3.009107     -4.865162      5.058048
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  C      -2.763401     -6.863636      3.719542
  H      -1.369665     -6.261778      5.228750
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  H      -2.949085     -6.682587      0.678988
  C       0.732567     -1.445670     -3.278975
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  C      -1.069290     -9.572875      9.409817
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  H      -6.944491     -5.872133      6.530372
  H      -8.421408     -6.770806      6.873405
  H      -7.879282     -7.122887      4.523535
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  H     -10.063327     -4.896747      0.545748
  H     -11.107745     -3.657063      1.273795
  H      -9.168946     -2.168503      1.657409
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  H      -5.421323     -3.823619      1.514053
  H      -7.128978     -4.215029      0.819363
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  H      -1.723737    -10.445059      9.256942
  H      -0.716718     -9.597681     10.450754
  H      -0.191876     -9.700327      8.756735
  H      -2.670707     -8.158068      9.764100
  H      -1.142093     -7.413320      9.288689
  H      -1.392302     -8.289795      6.969371
  H      -2.885275     -9.122696      7.419421
  H      -4.507859     -7.677278      8.659389
  H      -5.121858     -7.414309      7.018272
  H      -4.287157     -5.303171      9.083226
  H      -5.886305     -5.569139      8.399187
  H      -5.127671     -4.883451      6.159494
  H      -4.789358     -3.606755      7.340031
  H      -2.648398     -2.588030      6.181839
  H      -2.840864     -3.536398      9.050799
  H      -3.448009     -2.060524      8.307506
  H      -1.494113     -0.993562      9.150650
  H      -0.795570     -2.559800      9.576254
  H       0.676467     -1.917288      7.763283
  H      -0.648458     -1.150178      6.865810
  H      -0.328716     -4.151237      7.393336
  H      -0.406432     -3.381132      5.794355
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  H      -5.030346     -2.437683      5.691930
  N      -5.625430     -3.146923      2.297121
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.943846053658
  N      -2.762965     -3.647776      2.115034
  C      -2.868967     -4.544138      0.980129
  C      -2.661104     -5.957050      1.486476
  N      -3.530329     -6.191565      2.677521
  C      -4.757491     -6.923858      2.304319
  C      -5.815167     -6.767039      3.378021
  N      -5.987727     -5.363562      3.754291
  Mo     -4.218731     -4.234863      3.548204
  N      -2.998922     -4.860951      5.066315
  C      -2.016412     -5.804274      4.523187
  C      -2.767056     -6.878885      3.754697
  H      -1.391067     -6.286952      5.284760
  H      -1.334807     -5.283847      3.826601
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  H      -5.127766     -6.473792      1.369849
  H      -4.528278     -7.989924      2.110253
  H      -2.134006     -4.340998      0.189015
  H      -3.856273     -4.481048      0.455214
  H      -1.614108     -6.067525      1.799159
  H      -2.871423     -6.723009      0.720672
  C       0.707628     -1.403682     -3.304616
  C      -0.104591     -1.140254     -2.038372
  C      -1.161004     -2.235595     -1.812663
  N      -2.021196     -2.118240     -0.640659
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  C      -3.938050     -1.124569      0.461951
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  C      -2.159616     -2.304130      1.893766
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  C      -0.631210     -0.647049      3.316055
  C       0.803661     -0.853913      3.820927
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  C      -1.084706     -9.587544      9.366548
  C      -1.822216     -8.282567      9.074561
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  N      -3.088875     -7.045066      7.237332
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  C      -4.853201     -5.575130      8.154305
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  C      -3.037724     -4.653713      6.547980
  C      -2.339217     -3.309923      6.923362
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  H       1.465085     -0.624755     -3.472870
  H       0.057311     -1.435460     -4.192796
  H       1.230920     -2.370914     -3.244307
  H      -0.599008     -0.158074     -2.110007
  H       0.570386     -1.089842     -1.168917
  H      -1.816750     -2.281697     -2.700185
  H      -0.645776     -3.212212     -1.750166
  H      -2.413848     -0.011477     -0.593302
  H      -3.453552     -0.999383     -1.655283
  H      -4.643606     -0.278787      0.449025
  H      -4.529212     -2.040010      0.321503
  H      -2.709126     -0.200422      1.953845
  H      -3.947437     -1.294120      2.605174
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  H      -0.592543     -0.112076      2.354094
  H      -1.239714     -0.032255      3.995338
  H       1.446856      0.023452      3.656749
  H       0.801456     -1.066936      4.902972
  H       1.468450     -1.834854      2.006450
  H       2.162912     -2.565734      3.468940
  H       0.061820     -3.579687      4.077433
  H      -0.017348     -3.768001      2.338855
  H      -0.609927     -3.065062      0.545844
  H      -0.637498     -1.308218      0.753552
  H      -9.970600     -0.304836      7.794177
  H     -10.738739     -0.123187      6.202937
  H     -11.701296     -0.652497      7.600071
  H     -10.417848     -2.795649      7.709492
  H     -11.147448     -2.617913      6.109817
  H      -8.235793     -1.950091      6.824580
  H      -8.989347     -1.673751      5.234431
  H      -9.622341     -4.841636      7.167311
  H      -8.021867     -4.202493      7.622701
  H      -6.874778     -5.906470      6.485160
  H      -8.354845     -6.790660      6.851646
  H      -7.875217     -7.113963      4.482822
  H      -9.254551     -6.037628      4.593780
  H      -8.061928     -5.800717      2.078332
  H     -10.292750     -5.513279      2.931299
  H      -9.953409     -3.854974      3.459968
  H     -10.086093     -4.875165      0.558078
  H     -11.098517     -3.599963      1.269069
  H      -9.133724     -2.135780      1.584114
  H      -8.850257     -2.793888     -0.039473
  H      -5.403478     -3.901113      1.490366
  H      -7.134221     -4.243234      0.796042
  H      -6.605964     -3.702394      5.470560
  H      -7.500831     -2.841530      4.191117
  H      -1.742447    -10.457217      9.213357
  H      -0.716782     -9.624649     10.401824
  H      -0.217188     -9.708375      8.699079
  H      -2.678773     -8.174917      9.760622
  H      -1.156486     -7.426427      9.270793
  H      -1.442568     -8.284406      6.945776
  H      -2.935025     -9.109784      7.411060
  H      -4.528182     -7.641585      8.698958
  H      -5.158268     -7.417408      7.056869
  H      -4.340038     -5.259574      9.076415
  H      -5.930541     -5.545826      8.378727
  H      -5.138625     -4.917987      6.131790
  H      -4.841033     -3.605576      7.284339
  H      -2.681632     -2.582370      6.171726
  H      -2.917201     -3.496615      9.049622
  H      -3.524517     -2.036170      8.277141
  H      -1.593817     -0.941071      9.139394
  H      -0.891368     -2.495774      9.599573
  H       0.609373     -1.866481      7.804400
  H      -0.704834     -1.121702      6.872332
  H      -0.373597     -4.113870      7.445020
  H      -0.426847     -3.363633      5.835995
  H      -2.238756     -5.436128      8.388246
  H      -1.338187     -5.970207      6.991702
  N      -4.718782     -2.300111      4.672256
  H      -5.480569     -1.881248      4.126694
  H      -3.942284     -1.633518      4.675325
  H      -5.038056     -2.401536      5.638441
  N      -5.593325     -3.183094      2.247303
  N      -6.822047     -2.723499      2.173552
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.944766617848
  N      -2.768864     -3.648289      2.110136
  C      -2.862821     -4.551747      0.979124
  C      -2.650141     -5.959286      1.495486
  N      -3.535594     -6.193394      2.673878
  C      -4.763426     -6.913928      2.281903
  C      -5.832369     -6.759501      3.344595
  N      -5.996308     -5.358838      3.733482
  Mo     -4.214244     -4.235183      3.545428
  N      -2.998864     -4.874481      5.063740
  C      -2.028397     -5.832549      4.528893
  C      -2.789289     -6.894908      3.753346
  H      -1.415725     -6.326804      5.293137
  H      -1.330812     -5.324577      3.838564
  H      -3.502940     -7.376868      4.432913
  H      -2.132414     -7.666646      3.311698
  H      -6.751710     -7.176737      2.897239
  H      -5.601487     -7.411575      4.215628
  H      -5.121785     -6.455763      1.346431
  H      -4.538941     -7.979951      2.082252
  H      -2.124305     -4.348918      0.191551
  H      -3.848082     -4.494883      0.450689
  H      -1.607442     -6.057019      1.826356
  H      -2.841123     -6.732442      0.731480
  C       0.757889     -1.451341     -3.289350
  C      -0.060638     -1.177759     -2.029277
  C      -1.127819     -2.263495     -1.807457
  N      -1.995467     -2.134595     -0.641985
  C      -2.904187     -0.999114     -0.692131
  C      -3.910663     -1.117477      0.441757
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  C      -2.153364     -2.308433      1.892024
  C      -1.226315     -2.072178      3.135341
  C      -0.684834     -0.632027      3.353984
  C       0.759172     -0.801040      3.848169
  C       1.246107     -2.028342      3.070777
  C       0.043004     -2.978750      3.144254
  C      -1.268938     -2.213988      0.620534
  C     -10.691028     -0.793838      7.211681
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  C      -7.922026     -5.966706      6.263038
  C      -8.179877     -6.114179      4.768979
  C      -7.448619     -5.002233      3.946269
  C      -8.219505     -4.835228      2.589255
  C      -9.742801     -4.578335      2.680941
  C     -10.117328     -4.027138      1.303401
  C      -8.978454     -3.049965      1.002690
  C      -7.725146     -3.715882      1.581383
  C      -7.526908     -3.726137      4.821293
  C      -1.099386     -9.605108      9.331449
  C      -1.827100     -8.288531      9.068146
  C      -2.369507     -8.214048      7.631071
  N      -3.130226     -7.025244      7.274074
  C      -4.471374     -6.959069      7.876661
  C      -4.863250     -5.515377      8.179750
  C      -4.545216     -4.618233      6.986657
  C      -3.045987     -4.652397      6.542042
  C      -2.353933     -3.301949      6.902120
  C      -2.652671     -2.705564      8.309853
  C      -1.371467     -1.942163      8.737068
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  C      -2.380808     -5.782821      7.357751
  H       1.522239     -0.678575     -3.455023
  H       0.113083     -1.480887     -4.181670
  H       1.273389     -2.422368     -3.222747
  H      -0.546164     -0.191601     -2.106874
  H       0.608860     -1.130682     -1.155383
  H      -1.777314     -2.307554     -2.699741
  H      -0.621140     -3.244048     -1.737461
  H      -2.367100     -0.023982     -0.605922
  H      -3.408842     -1.005678     -1.671871
  H      -4.605905     -0.263265      0.420744
  H      -4.511887     -2.026298      0.300818
  H      -2.683299     -0.202537      1.942313
  H      -3.936996     -1.281903      2.586350
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  H      -0.671268     -0.075658      2.403472
  H      -1.309112     -0.052405      4.049716
  H       1.374928      0.096847      3.689461
  H       0.769501     -1.023022      4.928181
  H       1.449093     -1.745926      2.024097
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  H     -11.661184     -0.718592      7.723013
  H     -10.363335     -2.853476      7.773886
  H     -11.132967     -2.662004      6.194875
  H      -8.209740     -1.979074      6.844315
  H      -9.003870     -1.696883      5.275762
  H      -9.545122     -4.870269      7.215206
  H      -7.923895     -4.238928      7.603401
  H      -6.837649     -5.963514      6.436275
  H      -8.325708     -6.826807      6.817792
  H      -7.894669     -7.116834      4.431705
  H      -9.258503     -6.025974      4.592036
  H      -8.089522     -5.797287      2.060390
  H     -10.317871     -5.479692      2.933887
  H      -9.948967     -3.830221      3.462134
  H     -10.122990     -4.843939      0.561148
  H     -11.112301     -3.557784      1.283458
  H      -9.138377     -2.106560      1.550650
  H      -8.864621     -2.801924     -0.061541
  H      -5.421780     -3.942626      1.482935
  H      -7.160268     -4.242148      0.775634
  H      -6.600247     -3.683933      5.422819
  H      -7.548990     -2.841795      4.172085
  H      -1.774483    -10.464684      9.197819
  H      -0.697423     -9.651150     10.353646
  H      -0.256618     -9.736032      8.634707
  H      -2.658202     -8.170550      9.783192
  H      -1.142714     -7.442565      9.243509
  H      -1.520536     -8.298021      6.927588
  H      -3.012850     -9.092095      7.444324
  H      -4.524250     -7.558352      8.805694
  H      -5.204106     -7.400197      7.173749
  H      -4.343027     -5.164878      9.084790
  H      -5.939679     -5.469352      8.407161
  H      -5.138289     -4.962793      6.128114
  H      -4.864836     -3.589964      7.214377
  H      -2.720678     -2.580791      6.154658
  H      -2.893051     -3.493312      9.037510
  H      -3.525020     -2.037322      8.276815
  H      -1.586335     -0.931026      9.110502
  H      -0.864253     -2.482617      9.551196
  H       0.597258     -1.831596      7.728937
  H      -0.743825     -1.097454      6.826663
  H      -0.371219     -4.088908      7.380357
  H      -0.462433     -3.332893      5.775573
  H      -2.248657     -5.414248      8.396851
  H      -1.361064     -5.982147      7.006009
  N      -4.727525     -2.292684      4.652745
  H      -5.496262     -1.888646      4.104690
  H      -3.960881     -1.614739      4.651103
  H      -5.046026     -2.388842      5.619638
  N      -5.589275     -3.202076      2.228998
  N      -6.812065     -2.736746      2.161527
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.945305073165
  N      -2.769987     -3.620703      2.108554
  C      -2.857880     -4.525175      0.978570
  C      -2.622250     -5.927474      1.497394
  N      -3.510320     -6.172736      2.670347
  C      -4.732020     -6.896858      2.266715
  C      -5.808661     -6.755976      3.323187
  N      -5.981154     -5.359714      3.724873
  Mo     -4.198207     -4.222220      3.549701
  N      -2.986199     -4.867729      5.067018
  C      -2.009889     -5.819897      4.535194
  C      -2.762717     -6.878828      3.746172
  H      -1.402136     -6.319283      5.299030
  H      -1.303842     -5.306080      3.856791
  H      -3.475505     -7.371515      4.418714
  H      -2.099612     -7.642274      3.299029
  H      -6.723315     -7.170803      2.863444
  H      -5.582671     -7.418068      4.187713
  H      -5.087702     -6.436870      1.331095
  H      -4.500066     -7.960425      2.062152
  H      -2.125971     -4.313269      0.186973
  H      -3.847151     -4.480088      0.457905
  H      -1.580339     -6.004021      1.835671
  H      -2.795482     -6.706297      0.734423
  C       0.737053     -1.482432     -3.313347
  C      -0.074342     -1.194456     -2.051929
  C      -1.141657     -2.276379     -1.812354
  N      -2.003384     -2.133169     -0.643918
  C      -2.909450     -0.995700     -0.702182
  C      -3.909056     -1.096614      0.439213
  C      -3.184126     -1.138550      1.783097
  C      -2.148926     -2.283843      1.889233
  C      -1.211286     -2.051593      3.125233
  C      -0.635285     -0.621230      3.321369
  C       0.806419     -0.817274      3.812145
  C       1.261857     -2.064945      3.048556
  C       0.037595     -2.986826      3.137051
  C      -1.269624     -2.196235      0.615038
  C     -10.671066     -0.861567      7.283924
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  N      -8.690895     -3.746190      5.699004
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  C      -8.981159     -3.047660      1.001798
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  C      -7.533206     -3.742748      4.806983
  C      -1.168695     -9.640902      9.289969
  C      -1.870647     -8.304190      9.060408
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  N      -3.179134     -6.987006      7.308815
  C      -4.500069     -6.890095      7.947100
  C      -4.873714     -5.431112      8.200469
  C      -4.543038     -4.579273      6.977392
  C      -3.041790     -4.631961      6.546183
  C      -2.339916     -3.287866      6.902274
  C      -2.698120     -2.643816      8.274398
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  C      -2.400339     -5.761786      7.382855
  H       1.501318     -0.712321     -3.491494
  H       0.087352     -1.520660     -4.201828
  H       1.251824     -2.453346     -3.239435
  H      -0.559004     -0.208511     -2.137437
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  H      -1.795603     -2.330037     -2.700839
  H      -0.635755     -3.256677     -1.733789
  H      -2.368527     -0.021421     -0.631641
  H      -3.420552     -1.012798     -1.678452
  H      -4.598877     -0.238036      0.413696
  H      -4.517345     -2.002914      0.313549
  H      -2.666166     -0.175281      1.923840
  H      -3.921779     -1.238675      2.585056
  H      -1.839281     -2.300780      3.995125
  H      -0.613364     -0.077938      2.363359
  H      -1.242656     -0.017832      4.011842
  H       1.442324      0.064037      3.640453
  H       0.816054     -1.025762      4.894353
  H       1.466979     -1.800339      1.997609
  H       2.174896     -2.521259      3.458615
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  H      -0.002711     -3.739890      2.340649
  H      -0.591473     -3.060408      0.557776
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  H      -9.900023     -0.435555      7.944526
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  H     -11.633684     -0.795370      7.810673
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  H     -11.121907     -2.719316      6.251484
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  H      -9.007965     -1.735138      5.315628
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  H      -7.853341     -4.295917      7.579182
  H      -6.817810     -6.040874      6.396080
  H      -8.318530     -6.882118      6.770442
  H      -7.902027     -7.132080      4.373028
  H      -9.250841     -6.028571      4.568358
  H      -8.084985     -5.802764      2.037852
  H     -10.307631     -5.485989      2.937264
  H      -9.929769     -3.843041      3.472989
  H     -10.142375     -4.834445      0.567940
  H     -11.114693     -3.547809      1.310480
  H      -9.143160     -2.100406      1.541180
  H      -8.878608     -2.812500     -0.066433
  H      -5.438996     -3.962675      1.491348
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  H      -7.586608     -2.857457      4.160304
  H      -1.866451    -10.482630      9.158829
  H      -0.746581     -9.711173     10.302630
  H      -0.343877     -9.781524      8.573738
  H      -2.682249     -8.176889      9.795880
  H      -1.162805     -7.476587      9.230617
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  H      -4.530422     -7.450479      8.901835
  H      -5.254594     -7.352899      7.282972
  H      -4.351642     -5.055298      9.093782
  H      -5.949979     -5.363897      8.422831
  H      -5.127000     -4.956661      6.126506
  H      -4.864256     -3.542571      7.160952
  H      -2.648597     -2.583504      6.113904
  H      -2.997199     -3.403645      9.009530
  H      -3.550424     -1.956373      8.175524
  H      -1.629461     -0.873158      9.081250
  H      -0.976661     -2.428633      9.607806
  H       0.602076     -1.875396      7.852960
  H      -0.664811     -1.130471      6.857326
  H      -0.410964     -4.114689      7.509439
  H      -0.392291     -3.400887      5.883158
  H      -2.267954     -5.385116      8.418900
  H      -1.382406     -5.985375      7.041897
  N      -4.738207     -2.276932      4.640254
  H      -5.522811     -1.894789      4.097888
  H      -3.988610     -1.580139      4.627945
  H      -5.046593     -2.371220      5.610705
  N      -5.578391     -3.208573      2.224879
  N      -6.802643     -2.740363      2.154749
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.945727917584
  N      -2.768750     -3.628882      2.111061
  C      -2.840754     -4.545095      0.989448
  C      -2.603380     -5.940789      1.524951
  N      -3.508597     -6.177840      2.686231
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  C      -5.815452     -6.755979      3.312819
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  N      -3.009239     -4.857184      5.076901
  C      -2.030463     -5.817383      4.567590
  C      -2.775373     -6.879395      3.774807
  H      -1.437817     -6.314324      5.345332
  H      -1.309005     -5.311352      3.899648
  H      -3.496974     -7.367661      4.441116
  H      -2.108063     -7.645970      3.339680
  H      -6.725585     -7.169984      2.844030
  H      -5.599380     -7.417906      4.180087
  H      -5.069379     -6.441183      1.327675
  H      -4.494005     -7.964297      2.067730
  H      -2.102902     -4.337501      0.202647
  H      -3.824881     -4.508995      0.459348
  H      -1.566729     -6.005197      1.880812
  H      -2.760132     -6.729103      0.767917
  C       0.792518     -1.508740     -3.280585
  C      -0.035030     -1.216340     -2.030834
  C      -1.099954     -2.301752     -1.796558
  N      -1.975698     -2.155702     -0.638708
  C      -2.889354     -1.024730     -0.714113
  C      -3.899701     -1.122319      0.418515
  C      -3.188002     -1.150401      1.769671
  C      -2.150083     -2.292669      1.890954
  C      -1.222048     -2.063002      3.132117
  C      -0.654621     -0.631333      3.345823
  C       0.783385     -0.825852      3.846147
  C       1.251329     -2.057691      3.065016
  C       0.032752     -2.988834      3.131601
  C      -1.256065     -2.205975      0.628939
  C     -10.598317     -0.874537      7.382157
  C     -10.283237     -2.316439      6.988997
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  C      -7.890258     -6.039754      6.209536
  C      -8.185801     -6.125500      4.718494
  C      -7.445011     -5.008162      3.914989
  C      -8.224255     -4.827841      2.562504
  C      -9.737378     -4.542750      2.689070
  C     -10.135020     -3.992292      1.317932
  C      -8.981676     -3.040663      0.979138
  C      -7.726297     -3.723218      1.547928
  C      -7.535701     -3.739329      4.802584
  C      -1.135998     -9.644320      9.215566
  C      -1.860984     -8.314104      9.023149
  C      -2.433683     -8.178681      7.602566
  N      -3.187252     -6.970222      7.304584
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  C      -4.920944     -5.454198      8.187167
  C      -4.590743     -4.592758      6.968913
  C      -3.084062     -4.615104      6.554665
  C      -2.401146     -3.258356      6.900942
  C      -2.717005     -2.631135      8.291013
  C      -1.442865     -1.852565      8.713809
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  H       1.555458     -0.736404     -3.454608
  H       0.153631     -1.555446     -4.176451
  H       1.310628     -2.476853     -3.194501
  H      -0.523181     -0.233266     -2.128510
  H       0.628390     -1.151744     -1.153421
  H      -1.743528     -2.364199     -2.691924
  H      -0.590384     -3.279168     -1.706355
  H      -2.355375     -0.046444     -0.646668
  H      -3.391124     -1.052888     -1.694928
  H      -4.593516     -0.267493      0.379517
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  H      -1.269908     -0.037857      4.037795
  H       1.415446      0.061751      3.694045
  H       0.783901     -1.052174      4.925580
  H       1.460347     -1.774814      2.019606
  H       2.165209     -2.514294      3.472812
  H       0.076017     -3.571558      4.061165
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  H      -9.808424     -0.456155      8.025101
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  H     -11.546660     -0.807211      7.934063
  H     -10.255459     -2.942970      7.894781
  H     -11.083676     -2.723457      6.349508
  H      -8.135924     -2.058921      6.899391
  H      -8.987834     -1.736698      5.371033
  H      -9.427834     -4.926564      7.280503
  H      -7.776500     -4.322273      7.565899
  H      -6.804347     -6.088273      6.359203
  H      -8.316970     -6.902170      6.743061
  H      -7.942581     -7.121912      4.333154
  H      -9.264883     -5.995707      4.571878
  H      -8.121009     -5.792156      2.032153
  H     -10.323822     -5.430736      2.963266
  H      -9.913926     -3.786793      3.470598
  H     -10.178501     -4.814616      0.583069
  H     -11.119375     -3.500975      1.318092
  H      -9.130497     -2.081558      1.500580
  H      -8.888636     -2.827322     -0.094620
  H      -5.461653     -4.002027      1.482515
  H      -7.189071     -4.248120      0.723256
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  H      -7.610396     -2.852042      4.160765
  H      -1.818255    -10.493941      9.056765
  H      -0.716256     -9.737464     10.227352
  H      -0.306196     -9.749233      8.498916
  H      -2.675042     -8.222891      9.761029
  H      -1.167942     -7.479329      9.217957
  H      -1.600864     -8.247617      6.878326
  H      -3.091422     -9.042020      7.396754
  H      -4.511906     -7.451934      8.915025
  H      -5.247806     -7.401756      7.299170
  H      -4.428141     -5.062161      9.089627
  H      -6.002498     -5.415342      8.387915
  H      -5.157421     -4.976022      6.108205
  H      -4.933712     -3.563563      7.153305
  H      -2.754642     -2.554616      6.131409
  H      -2.959106     -3.401866      9.035327
  H      -3.593379     -1.969736      8.234615
  H      -1.663437     -0.829830      9.050620
  H      -0.950339     -2.365872      9.554145
  H       0.544350     -1.782561      7.738466
  H      -0.774791     -1.066251      6.791132
  H      -0.433529     -4.043936      7.433543
  H      -0.491561     -3.330637      5.809054
  H      -2.323966     -5.358628      8.438524
  H      -1.403003     -5.934048      7.073469
  N      -4.762795     -2.259657      4.595552
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  H      -4.016567     -1.559096      4.583653
  H      -5.082988     -2.340704      5.563471
  N      -5.575773     -3.227201      2.192420
  N      -6.790715     -2.740502      2.113185
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.946135591914
  N      -2.766699     -3.638136      2.117251
  C      -2.835068     -4.560538      0.999908
  C      -2.598349     -5.954504      1.541003
  N      -3.508543     -6.188109      2.699160
  C      -4.726981     -6.907468      2.278965
  C      -5.813161     -6.764981      3.326033
  N      -5.987969     -5.368684      3.727027
  Mo     -4.202738     -4.228494      3.553696
  N      -3.010195     -4.861825      5.085513
  C      -2.035473     -5.830199      4.583676
  C      -2.783131     -6.890021      3.792148
  H      -1.450966     -6.328264      5.367405
  H      -1.307212     -5.331172      3.918382
  H      -3.509769     -7.371126      4.458353
  H      -2.119155     -7.662382      3.362627
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  H      -5.591322     -7.423227      4.195046
  H      -5.067951     -6.443990      1.339953
  H      -4.495807     -7.971265      2.073995
  H      -2.096317     -4.355275      0.213838
  H      -3.817363     -4.527784      0.466393
  H      -1.563077     -6.014994      1.901356
  H      -2.750669     -6.745817      0.786304
  C       0.809564     -1.484607     -3.267776
  C      -0.024255     -1.202481     -2.019882
  C      -1.090195     -2.289779     -1.799958
  N      -1.972646     -2.152471     -0.646247
  C      -2.890763     -1.025651     -0.720388
  C      -3.905208     -1.135887      0.406865
  C      -3.199927     -1.162676      1.761446
  C      -2.155985     -2.299720      1.887395
  C      -1.230690     -2.053934      3.126983
  C      -0.668637     -0.617548      3.321534
  C       0.772016     -0.799886      3.819525
  C       1.241518     -2.042287      3.056034
  C       0.026357     -2.975983      3.142645
  C      -1.260164     -2.209958      0.625334
  C     -10.600669     -0.871774      7.371823
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  C      -8.186366     -6.135309      4.714731
  C      -7.443616     -5.016366      3.916003
  C      -8.216285     -4.832136      2.558694
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  C      -8.981010     -3.030577      0.995428
  C      -7.721828     -3.718187      1.552287
  C      -7.540145     -3.746712      4.803516
  C      -1.150875     -9.673800      9.180979
  C      -1.866954     -8.336078      9.008380
  C      -2.454557     -8.183296      7.595526
  N      -3.196637     -6.964143      7.314009
  C      -4.505924     -6.887314      7.973940
  C      -4.914550     -5.431468      8.199644
  C      -4.578442     -4.569535      6.982729
  C      -3.074394     -4.610572      6.562150
  C      -2.379232     -3.258376      6.899756
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  C      -1.420653     -1.835028      8.697744
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  C      -2.426262     -5.734070      7.401506
  H       1.573685     -0.711158     -3.431308
  H       0.175337     -1.523465     -4.167299
  H       1.326955     -2.453579     -3.187232
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  H       0.634688     -1.145366     -1.138611
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  H      -0.580751     -3.267657     -1.713632
  H      -2.362317     -0.044907     -0.645189
  H      -3.387909     -1.051221     -1.703627
  H      -4.605971     -0.286872      0.367462
  H      -4.498666     -2.051378      0.278328
  H      -2.692644     -0.193744      1.903658
  H      -3.949339     -1.262283      2.552648
  H      -1.859450     -2.309910      3.994433
  H      -0.647172     -0.075719      2.362806
  H      -1.284576     -0.018270      4.008045
  H       1.400523      0.087308      3.651238
  H       0.777315     -1.009357      4.902087
  H       1.445431     -1.775472      2.005421
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  H      -0.574516     -3.069805      0.581124
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  H      -9.809313     -0.454320      8.013540
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  H     -11.548900     -0.799594      7.923232
  H     -10.264989     -2.940277      7.889388
  H     -11.091658     -2.721217      6.343081
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  H      -8.990999     -1.737629      5.367091
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  H      -6.822649     -6.090518      6.372234
  H      -8.337875     -6.908935      6.738128
  H      -7.933855     -7.130873      4.332098
  H      -9.264031     -6.011842      4.557852
  H      -8.106230     -5.792665      2.022262
  H     -10.312725     -5.454127      2.942210
  H      -9.916722     -3.815417      3.476154
  H     -10.178532     -4.799343      0.575648
  H     -11.116709     -3.494798      1.330334
  H      -9.128688     -2.078922      1.530906
  H      -8.891771     -2.799544     -0.075146
  H      -5.465801     -4.002150      1.488331
  H      -7.187065     -4.232523      0.720001
  H      -6.597706     -3.676274      5.377171
  H      -7.605059     -2.858875      4.161264
  H      -1.841638    -10.516223      9.020604
  H      -0.722600     -9.780214     10.187876
  H      -0.328544     -9.779007      8.455798
  H      -2.671054     -8.245595      9.756993
  H      -1.164824     -7.508659      9.202519
  H      -1.630383     -8.257189      6.861987
  H      -3.125019     -9.037285      7.391066
  H      -4.505717     -7.420824      8.945420
  H      -5.255966     -7.390627      7.336339
  H      -4.422475     -5.039425      9.102698
  H      -5.995899     -5.386775      8.398590
  H      -5.157269     -4.933307      6.121223
  H      -4.902147     -3.536238      7.179453
  H      -2.723471     -2.556516      6.124126
  H      -2.937539     -3.381018      9.035203
  H      -3.571861     -1.956969      8.220108
  H      -1.639940     -0.806213      9.016312
  H      -0.932972     -2.335063      9.548809
  H       0.571218     -1.790652      7.730701
  H      -0.739125     -1.080167      6.766821
  H      -0.419592     -4.049976      7.453875
  H      -0.464604     -3.360848      5.818779
  H      -2.308222     -5.360508      8.440580
  H      -1.403025     -5.946932      7.068962
  N      -4.761844     -2.265012      4.599755
  H      -5.552255     -1.898219      4.054299
  H      -4.019957     -1.560141      4.575519
  H      -5.068109     -2.343544      5.572750
  N      -5.579068     -3.230980      2.198561
  N      -6.788359     -2.739827      2.126115
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.946569062527
  N      -2.753144     -3.650869      2.113059
  C      -2.818068     -4.577153      0.998124
  C      -2.579197     -5.968886      1.545786
  N      -3.498057     -6.200185      2.697803
  C      -4.716320     -6.914870      2.267687
  C      -5.814390     -6.766308      3.302091
  N      -5.986178     -5.370795      3.705143
  Mo     -4.191861     -4.237948      3.544923
  N      -3.020890     -4.878994      5.086417
  C      -2.041620     -5.849603      4.596363
  C      -2.783629     -6.905200      3.795691
  H      -1.471604     -6.351500      5.387622
  H      -1.299934     -5.352778      3.943771
  H      -3.517279     -7.384539      4.455336
  H      -2.117928     -7.679080      3.371655
  H      -6.722158     -7.178740      2.828457
  H      -5.607207     -7.426070      4.173963
  H      -5.043042     -6.451822      1.323326
  H      -4.487985     -7.980224      2.066990
  H      -2.079167     -4.371798      0.211961
  H      -3.799629     -4.548811      0.463356
  H      -1.546683     -6.021108      1.915291
  H      -2.721599     -6.764274      0.793601
  C       0.822104     -1.488194     -3.275052
  C      -0.014012     -1.212553     -2.027315
  C      -1.074082     -2.305966     -1.809938
  N      -1.961538     -2.171883     -0.660059
  C      -2.888128     -1.053012     -0.741026
  C      -3.903875     -1.167500      0.384299
  C      -3.202681     -1.181833      1.741530
  C      -2.151083     -2.310678      1.876877
  C      -1.236022     -2.049113      3.122329
  C      -0.686681     -0.607142      3.309779
  C       0.753721     -0.774400      3.815204
  C       1.235711     -2.023789      3.070498
  C       0.025857     -2.963697      3.162722
  C      -1.253642     -2.221033      0.614054
  C     -10.518395     -0.899923      7.465528
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  C      -8.923870     -2.444560      6.256194
  N      -8.663427     -3.769281      5.712034
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  C      -7.873786     -6.064617      6.174012
  C      -8.178172     -6.135210      4.684252
  C      -7.439491     -5.011860      3.889704
  C      -8.213650     -4.811396      2.532991
  C      -9.730757     -4.533108      2.666106
  C     -10.135382     -3.926437      1.320414
  C      -8.976446     -2.976332      1.008106
  C      -7.719201     -3.685637      1.538292
  C      -7.531738     -3.746437      4.786048
  C      -1.144353     -9.686530      9.149647
  C      -1.865049     -8.348033      9.004539
  C      -2.487457     -8.185518      7.607727
  N      -3.224696     -6.959849      7.347148
  C      -4.515077     -6.871282      8.038917
  C      -4.931529     -5.411161      8.214968
  C      -4.600625     -4.581220      6.976029
  C      -3.094302     -4.618589      6.562879
  C      -2.414758     -3.258918      6.893546
  C      -2.765775     -2.600341      8.259141
  C      -1.513295     -1.783224      8.676547
  C      -0.554901     -1.864562      7.473911
  C      -0.878971     -3.230628      6.869344
  C      -2.445792     -5.733296      7.414898
  H       1.582677     -0.710825     -3.436490
  H       0.188886     -1.528364     -4.175202
  H       1.344179     -2.454755     -3.195963
  H      -0.506851     -0.231100     -2.117735
  H       0.644190     -1.153490     -1.145621
  H      -1.708841     -2.367811     -2.711646
  H      -0.558934     -3.280492     -1.719653
  H      -2.368253     -0.067491     -0.668455
  H      -3.382612     -1.086740     -1.725377
  H      -4.612908     -0.325747      0.339312
  H      -4.487747     -2.089626      0.258598
  H      -2.703353     -0.207980      1.881366
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  H      -1.310950     -0.008969      3.989876
  H       1.377039      0.114749      3.638059
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  H       1.443987     -1.769480      2.017718
  H       2.153004     -2.459788      3.493000
  H       0.068783     -3.509770      4.114479
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  H      -0.617129     -1.320881      0.748027
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  H     -10.627846     -0.250017      6.583688
  H     -11.447323     -0.831346      8.049183
  H     -10.167055     -2.972621      7.955783
  H     -11.043529     -2.740875      6.438801
  H      -8.074387     -2.100722      6.899953
  H      -8.974426     -1.743176      5.406619
  H      -9.414402     -4.965968      7.255181
  H      -7.771450     -4.359738      7.550719
  H      -6.785298     -6.111806      6.320988
  H      -8.297726     -6.933508      6.698938
  H      -7.938106     -7.127263      4.283991
  H      -9.256973     -6.002820      4.548178
  H      -8.108250     -5.766503      1.985269
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  H      -9.910102     -3.809752      3.476977
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  H     -11.112737     -3.422740      1.348887
  H      -9.106971     -2.034566      1.565821
  H      -8.896104     -2.718684     -0.057371
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  H      -7.197631     -4.188586      0.692217
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  H      -7.611380     -2.855538      4.149986
  H      -1.838117    -10.527906      8.996795
  H      -0.694973     -9.801654     10.146340
  H      -0.337252     -9.785820      8.406718
  H      -2.649098     -8.265131      9.774747
  H      -1.158825     -7.521290      9.187046
  H      -1.681969     -8.265533      6.854296
  H      -3.171087     -9.032674      7.418196
  H      -4.486430     -7.360447      9.033932
  H      -5.273758     -7.410483      7.442041
  H      -4.441346     -4.987493      9.105121
  H      -6.012685     -5.366021      8.414018
  H      -5.176915     -4.964622      6.121889
  H      -4.930968     -3.545739      7.151328
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  H      -1.756646     -0.748330      8.955279
  H      -1.037980     -2.246021      9.555132
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  H      -0.791159     -1.073930      6.741894
  H      -0.464355     -4.021256      7.516043
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  N      -4.758080     -2.272161      4.581962
  H      -5.546573     -1.907407      4.031670
  H      -4.017505     -1.565686      4.562830
  H      -5.070188     -2.349297      5.553641
  N      -5.572680     -3.242583      2.179549
  N      -6.773087     -2.729360      2.125203
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.946974679208
  N      -2.743800     -3.646920      2.123854
  C      -2.806976     -4.576990      1.011511
  C      -2.556846     -5.964151      1.565782
  N      -3.479511     -6.197131      2.713966
  C      -4.695668     -6.911536      2.275450
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  N      -5.979910     -5.368354      3.705969
  Mo     -4.179774     -4.235786      3.555251
  N      -3.015002     -4.875726      5.101762
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  C      -2.764881     -6.899770      3.811857
  H      -1.465767     -6.346023      5.411148
  H      -1.280682     -5.344454      3.971930
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  H      -6.709402     -7.168748      2.808292
  H      -5.614999     -7.426108      4.167564
  H      -5.010079     -6.450113      1.325984
  H      -4.466484     -7.977553      2.078820
  H      -2.071889     -4.368458      0.222002
  H      -3.790636     -4.558319      0.480464
  H      -1.525957     -6.002316      1.941659
  H      -2.687338     -6.764884      0.817240
  C       0.821222     -1.537110     -3.284769
  C      -0.015862     -1.252116     -2.039793
  C      -1.064678     -2.352820     -1.805393
  N      -1.955720     -2.207800     -0.659944
  C      -2.893671     -1.100256     -0.762470
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  C       0.744223     -0.734031      3.802258
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  C      -7.718390     -3.647506      1.543207
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  C      -1.116096     -9.719962      9.073857
  C      -1.850232     -8.384798      8.971163
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  C      -3.092081     -4.618693      6.581337
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  H       0.187432     -1.595223     -4.183526
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  H      -0.518536     -0.276938     -2.143271
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  H      -2.384291     -0.108074     -0.708322
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  H      -4.625962     -0.368238      0.303677
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  H      -1.323985      0.025932      3.968541
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  H       1.439148     -1.758154      2.022960
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  H     -10.166154     -2.976751      7.957710
  H     -11.055046     -2.740535      6.448319
  H      -8.079152     -2.115191      6.887671
  H      -8.990121     -1.739121      5.404918
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  H      -6.809696     -6.106110      6.311587
  H      -8.320199     -6.941999      6.666815
  H      -7.940710     -7.121986      4.255582
  H      -9.262090     -5.999334      4.513841
  H      -8.094261     -5.740599      1.959969
  H     -10.299317     -5.436695      2.872269
  H      -9.904874     -3.830261      3.497853
  H     -10.210024     -4.644452      0.553904
  H     -11.110979     -3.365244      1.393129
  H      -9.092237     -1.995123      1.639190
  H      -8.908784     -2.623276     -0.007510
  H      -5.494646     -4.037498      1.496237
  H      -7.209768     -4.132356      0.680236
  H      -6.600541     -3.673237      5.354285
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  H      -1.803006    -10.562964      8.900078
  H      -0.661356     -9.859711     10.064970
  H      -0.311240     -9.791485      8.325306
  H      -2.627020     -8.331832      9.751137
  H      -1.150260     -7.556306      9.169745
  H      -1.686538     -8.256898      6.822972
  H      -3.173273     -9.032300      7.383255
  H      -4.456205     -7.344686      9.071313
  H      -5.255378     -7.445237      7.487684
  H      -4.454848     -4.985194      9.111079
  H      -6.016757     -5.383540      8.412165
  H      -5.173228     -4.959312      6.125106
  H      -4.931487     -3.551830      7.168507
  H      -2.740890     -2.569016      6.122748
  H      -2.976064     -3.360915      9.049261
  H      -3.674657     -1.986574      8.201278
  H      -1.790893     -0.715126      8.924998
  H      -1.051313     -2.181297      9.573536
  H       0.489941     -1.725596      7.769266
  H      -0.798627     -1.078067      6.735088
  H      -0.468888     -4.010725      7.563311
  H      -0.469192     -3.396850      5.897766
  H      -2.340235     -5.349493      8.473623
  H      -1.419644     -5.948026      7.118164
  N      -4.757851     -2.268023      4.582708
  H      -5.555442     -1.916045      4.036399
  H      -4.026608     -1.552021      4.555529
  H      -5.062071     -2.342922      5.557063
  N      -5.568743     -3.250069      2.181416
  N      -6.758423     -2.715751      2.147061
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.947431019415
  N      -2.723514     -3.641862      2.121231
  C      -2.770228     -4.580242      1.013774
  C      -2.514129     -5.962071      1.577943
  N      -3.452555     -6.198975      2.711576
  C      -4.662846     -6.909095      2.249679
  C      -5.789830     -6.764793      3.252048
  N      -5.965708     -5.376201      3.676372
  Mo     -4.165237     -4.239188      3.543176
  N      -3.016752     -4.877173      5.103351
  C      -2.027451     -5.850426      4.633778
  C      -2.757339     -6.903988      3.818670
  H      -1.481827     -6.357357      5.437692
  H      -1.264104     -5.356938      4.002290
  H      -3.502870     -7.381680      4.466914
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  H      -4.432382     -7.974203      2.049968
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  H      -1.489215     -5.986328      1.970839
  H      -2.624001     -6.767932      0.831602
  C       0.858586     -1.547657     -3.282170
  C       0.007397     -1.261473     -2.047006
  C      -1.026574     -2.375284     -1.808123
  N      -1.931211     -2.228655     -0.673760
  C      -2.886194     -1.138528     -0.801601
  C      -3.911568     -1.240629      0.316425
  C      -3.226302     -1.195226      1.681507
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  C      -0.729746     -0.519629      3.251732
  C       0.720699     -0.642399      3.744940
  C       1.216453     -1.914243      3.049221
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  N      -3.303224     -6.927344      7.388346
  C      -4.571579     -6.803391      8.107388
  C      -4.980318     -5.331919      8.210941
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  H       1.602386     -0.757159     -3.457375
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  H      -0.487233     -3.332450     -1.681569
  H      -2.394387     -0.136977     -0.757475
  H      -3.368347     -1.218645     -1.789474
  H      -4.640973     -0.419106      0.237295
  H      -4.470811     -2.181291      0.214329
  H      -2.754571     -0.205426      1.799548
  H      -3.986746     -1.293833      2.462463
  H      -1.894267     -2.210371      3.975143
  H      -0.730942     -0.011527      2.274747
  H      -1.359090      0.084582      3.921378
  H       1.326346      0.248451      3.521175
  H       0.742833     -0.790110      4.836700
  H       1.416494     -1.700166      1.985997
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  H      -9.619992     -0.603795      8.196948
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  H      -6.769605     -6.158678      6.244474
  H      -8.264970     -7.021953      6.602941
  H      -7.935456     -7.137762      4.183616
  H      -9.249307     -6.017779      4.490238
  H      -8.087616     -5.715528      1.927703
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  H      -9.888019     -3.851327      3.525769
  H     -10.227923     -4.562029      0.557815
  H     -11.110884     -3.308358      1.452857
  H      -9.071477     -1.960527      1.724770
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  H      -2.737982     -8.321601      9.783615
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  H      -4.504274     -4.879821      9.094920
  H      -6.064602     -5.270027      8.389623
  H      -5.181779     -4.908784      6.102546
  H      -4.926270     -3.489850      7.123136
  H      -2.687712     -2.568357      6.105359
  H      -2.940972     -3.321284      9.043796
  H      -3.643185     -1.960249      8.177613
  H      -1.745905     -0.672341      8.830912
  H      -1.030913     -2.113240      9.557007
  H       0.538564     -1.775449      7.755189
  H      -0.719956     -1.129479      6.683830
  H      -0.476840     -4.043374      7.603793
  H      -0.439420     -3.482157      5.920166
  H      -2.383870     -5.328812      8.488154
  H      -1.467893     -5.969972      7.149525
  N      -4.765791     -2.275405      4.566741
  H      -5.560024     -1.927910      4.011933
  H      -4.040284     -1.553229      4.551644
  H      -5.081540     -2.356090      5.536656
  N      -5.563029     -3.270055      2.164013
  N      -6.734823     -2.708568      2.152727
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.948011637075
  N      -2.712649     -3.662560      2.124309
  C      -2.756209     -4.605851      1.019081
  C      -2.505281     -5.986038      1.587153
  N      -3.449862     -6.220398      2.715845
  C      -4.660304     -6.924991      2.246056
  C      -5.795468     -6.774745      3.237188
  N      -5.967256     -5.384553      3.658470
  Mo     -4.159388     -4.257434      3.539517
  N      -3.015388     -4.896314      5.107000
  C      -2.029378     -5.873715      4.639895
  C      -2.763566     -6.927015      3.825931
  H      -1.485405     -6.382023      5.444251
  H      -1.264519     -5.384315      4.006649
  H      -3.515329     -7.398996      4.471855
  H      -2.095379     -7.707943      3.417861
  H      -6.688656     -7.166820      2.717993
  H      -5.633233     -7.452700      4.103852
  H      -4.946577     -6.457143      1.291019
  H      -4.434399     -7.991587      2.050057
  H      -2.012500     -4.399017      0.238624
  H      -3.732741     -4.601189      0.475507
  H      -1.482759     -6.011673      1.985826
  H      -2.612237     -6.793376      0.841584
  C       0.842730     -1.482050     -3.273474
  C      -0.006079     -1.216916     -2.031834
  C      -1.033568     -2.339294     -1.804216
  N      -1.935615     -2.212448     -0.665174
  C      -2.899272     -1.127963     -0.777740
  C      -3.922940     -1.250828      0.340290
  C      -3.234378     -1.215926      1.703380
  C      -2.150115     -2.308540      1.867730
  C      -1.251971     -1.996150      3.112631
  C      -0.734289     -0.537271      3.264662
  C       0.725284     -0.651894      3.731415
  C       1.217939     -1.916513      3.021155
  C       0.030457     -2.878405      3.168926
  C      -1.239076     -2.216742      0.615858
  C     -10.452933     -1.011904      7.588313
  C     -10.166667     -2.443971      7.137261
  C      -8.906431     -2.521283      6.278583
  N      -8.665141     -3.832559      5.688529
  C      -8.463511     -4.868040      6.708170
  C      -7.858510     -6.131258      6.079619
  C      -8.178287     -6.160454      4.590599
  C      -7.425272     -5.019484      3.834849
  C      -8.191850     -4.776783      2.478848
  C      -9.715099     -4.528036      2.638209
  C     -10.137697     -3.780314      1.371701
  C      -8.980454     -2.813772      1.131944
  C      -7.720357     -3.585597      1.538268
  C      -7.531641     -3.778265      4.762420
  C      -1.272576     -9.735077      9.144138
  C      -1.965167     -8.377673      9.040363
  C      -2.619067     -8.179592      7.662734
  N      -3.314652     -6.926263      7.429605
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  C      -4.974896     -5.306403      8.236400
  C      -4.614085     -4.549205      6.961746
  C      -3.099755     -4.616140      6.581937
  C      -2.387641     -3.271550      6.898395
  C      -2.714814     -2.574489      8.247196
  C      -1.472339     -1.705979      8.588863
  C      -0.496722     -1.900098      7.409812
  C      -0.853071     -3.291794      6.886294
  C      -2.490681     -5.728479      7.467175
  H       1.581956     -0.685464     -3.440059
  H       0.214790     -1.549584     -4.175590
  H       1.391402     -2.432609     -3.181727
  H      -0.528190     -0.252205     -2.135982
  H       0.647059     -1.127076     -1.149133
  H      -1.658248     -2.435864     -2.709840
  H      -0.488808     -3.295200     -1.692500
  H      -2.415255     -0.123128     -0.722350
  H      -3.382487     -1.199374     -1.765797
  H      -4.658961     -0.434262      0.272227
  H      -4.474474     -2.194833      0.228170
  H      -2.770991     -0.224142      1.830714
  H      -3.989771     -1.332103      2.487245
  H      -1.884564     -2.247349      3.978854
  H      -0.756854     -0.017627      2.294005
  H      -1.356624      0.053951      3.951742
  H       1.320107      0.244254      3.500137
  H       0.769646     -0.803421      4.822426
  H       1.402790     -1.695335      1.956663
  H       2.151409     -2.317977      3.441994
  H       0.100530     -3.382902      4.141222
  H       0.013227     -3.678047      2.417661
  H      -0.524275     -3.053956      0.601505
  H      -0.632893     -1.293894      0.741136
  H      -9.613642     -0.605636      8.173746
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  H     -11.353835     -0.959262      8.215539
  H     -10.064771     -3.092609      8.020978
  H     -11.015050     -2.835423      6.552016
  H      -8.029679     -2.198072      6.895172
  H      -8.993824     -1.795919      5.452307
  H      -9.437569     -5.102230      7.165716
  H      -7.812028     -4.483641      7.527570
  H      -6.768779     -6.149906      6.210486
  H      -8.254255     -7.025898      6.582761
  H      -7.950932     -7.141082      4.160236
  H      -9.259282     -6.015422      4.470889
  H      -8.068264     -5.705164      1.892907
  H     -10.281034     -5.459472      2.778203
  H      -9.892142     -3.903301      3.527026
  H     -10.227034     -4.485933      0.527854
  H     -11.108295     -3.273626      1.478556
  H      -9.054232     -1.940752      1.801887
  H      -8.933696     -2.429340      0.103149
  H      -5.559091     -4.105903      1.498114
  H      -7.246485     -4.041481      0.640955
  H      -6.583774     -3.704155      5.325429
  H      -7.627309     -2.871204      4.153566
  H      -1.989813    -10.556715      8.991527
  H      -0.805433     -9.879429     10.128785
  H      -0.484310     -9.841428      8.382446
  H      -2.724098     -8.291372      9.834644
  H      -1.234843     -7.570435      9.215331
  H      -1.835284     -8.285221      6.889918
  H      -3.339799     -8.998095      7.485963
  H      -4.496390     -7.165761      9.212441
  H      -5.341027     -7.384350      7.664117
  H      -4.488611     -4.827650      9.100176
  H      -6.057335     -5.235824      8.424063
  H      -5.172911     -4.966227      6.114830
  H      -4.942808     -3.505165      7.080096
  H      -2.688339     -2.583621      6.091718
  H      -2.892470     -3.315072      9.039483
  H      -3.629864     -1.970432      8.175831
  H      -1.729809     -0.649339      8.747360
  H      -1.005479     -2.060067      9.520170
  H       0.557216     -1.792128      7.703600
  H      -0.697148     -1.154358      6.623245
  H      -0.472416     -4.054742      7.586155
  H      -0.444614     -3.517944      5.894390
  H      -2.370076     -5.320637      8.492342
  H      -1.473059     -5.987430      7.153861
  N      -4.764784     -2.292152      4.557539
  H      -5.569433     -1.957015      4.008949
  H      -4.047710     -1.562059      4.530044
  H      -5.069120     -2.371596      5.530641
  N      -5.556352     -3.302830      2.158229
  N      -6.713131     -2.715867      2.161061
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.948682435366
  N      -2.707945     -3.655182      2.114018
  C      -2.750005     -4.606803      1.016214
  C      -2.504333     -5.983230      1.590722
  N      -3.449161     -6.210070      2.719878
  C      -4.661879     -6.912745      2.253210
  C      -5.796021     -6.757020      3.244460
  N      -5.964238     -5.362528      3.653904
  Mo     -4.154133     -4.242744      3.534347
  N      -3.001501     -4.874517      5.105722
  C      -2.020405     -5.853616      4.634694
  C      -2.762732     -6.911813      3.831385
  H      -1.467020     -6.357938      5.436203
  H      -1.264126     -5.366785      3.989634
  H      -3.515091     -7.377351      4.481299
  H      -2.098329     -7.697615      3.425987
  H      -6.690401     -7.150398      2.726461
  H      -5.631146     -7.431859      4.113140
  H      -4.948645     -6.447273      1.297545
  H      -4.439922     -7.980723      2.060448
  H      -2.002142     -4.407196      0.237626
  H      -3.725076     -4.603622      0.470268
  H      -1.481842     -6.014535      1.988776
  H      -2.615607     -6.792885      0.847962
  C       0.925241     -1.590594     -3.262914
  C       0.042774     -1.296658     -2.051529
  C      -0.967150     -2.430914     -1.804001
  N      -1.894768     -2.282460     -0.688140
  C      -2.877814     -1.223313     -0.859569
  C      -3.925158     -1.328999      0.238698
  C      -3.268378     -1.234769      1.614091
  C      -2.165027     -2.297345      1.835945
  C      -1.308080     -1.934240      3.096678
  C      -0.845039     -0.455501      3.236101
  C       0.609502     -0.507658      3.728032
  C       1.159437     -1.769306      3.055986
  C       0.002776     -2.768270      3.200205
  C      -1.224788     -2.224588      0.606197
  C     -10.464468     -1.038128      7.625810
  C     -10.169804     -2.462754      7.157740
  C      -8.907595     -2.525016      6.300531
  N      -8.655839     -3.831637      5.705801
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  C      -8.171604     -6.148426      4.583212
  C      -7.422822     -4.997563      3.836338
  C      -8.188879     -4.742605      2.482031
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  C     -10.141421     -3.711215      1.413554
  C      -8.988591     -2.732406      1.209819
  C      -7.727281     -3.526655      1.559257
  C      -7.524573     -3.768097      4.777079
  C      -1.292236     -9.773356      9.096545
  C      -1.971080     -8.408459      8.999931
  C      -2.625720     -8.198593      7.623980
  N      -3.319331     -6.940746      7.400315
  C      -4.566256     -6.793514      8.153599
  C      -4.959920     -5.315774      8.242877
  C      -4.601791     -4.550962      6.970790
  C      -3.090263     -4.618361      6.583232
  C      -2.371415     -3.283258      6.928391
  C      -2.693356     -2.617350      8.292099
  C      -1.456198     -1.745176      8.642293
  C      -0.468495     -1.935564      7.471658
  C      -0.835827     -3.311393      6.914633
  C      -2.486986     -5.749475      7.448186
  H       1.651907     -0.785539     -3.443037
  H       0.319720     -1.705205     -4.175492
  H       1.490407     -2.525384     -3.122611
  H      -0.496235     -0.347899     -2.204355
  H       0.673114     -1.159736     -1.158394
  H      -1.570698     -2.571572     -2.718119
  H      -0.406199     -3.371025     -1.647958
  H      -2.415825     -0.207118     -0.828802
  H      -3.336569     -1.338760     -1.855047
  H      -4.675227     -0.530387      0.126458
  H      -4.455347     -2.287236      0.146048
  H      -2.830303     -0.229395      1.718836
  H      -4.035302     -1.345811      2.386954
  H      -1.952718     -2.197875      3.949785
  H      -0.870371      0.048957      2.257820
  H      -1.499506      0.122972      3.903880
  H       1.175393      0.403736      3.484267
  H       0.644426     -0.631051      4.822859
  H       1.361264     -1.565378      1.991338
  H       2.096209     -2.129030      3.506192
  H       0.067261     -3.245429      4.186175
  H       0.029499     -3.585236      2.467637
  H      -0.491103     -3.044504      0.638950
  H      -0.645435     -1.282191      0.711487
  H      -9.628545     -0.635001      8.218160
  H     -10.618672     -0.365055      6.768606
  H     -11.366615     -0.998899      8.252146
  H     -10.062880     -3.122316      8.032770
  H     -11.016010     -2.851903      6.567784
  H      -8.036397     -2.197166      6.922504
  H      -8.997553     -1.796819      5.477250
  H      -9.436990     -5.125097      7.155892
  H      -7.814508     -4.502300      7.543223
  H      -6.749088     -6.127110      6.188219
  H      -8.215581     -7.029822      6.574980
  H      -7.940934     -7.125730      4.146931
  H      -9.253403     -6.007966      4.468844
  H      -8.050191     -5.660088      1.883797
  H     -10.274017     -5.453371      2.738625
  H      -9.895005     -3.931644      3.561878
  H     -10.232365     -4.372499      0.534891
  H     -11.113991     -3.214208      1.548071
  H      -9.042283     -1.899093      1.930007
  H      -8.950496     -2.295026      0.202486
  H      -5.608133     -4.113292      1.514989
  H      -7.278778     -3.968916      0.641803
  H      -6.573231     -3.694612      5.334717
  H      -7.629318     -2.854249      4.180023
  H      -2.018710    -10.587141      8.946020
  H      -0.820360     -9.924851     10.077800
  H      -0.510457     -9.884749      8.329043
  H      -2.728349     -8.315465      9.794964
  H      -1.231452     -7.610259      9.176415
  H      -1.843736     -8.299377      6.849225
  H      -3.348094     -9.014464      7.442103
  H      -4.487360     -7.194154      9.186892
  H      -5.350636     -7.382655      7.645544
  H      -4.458499     -4.851986      9.105828
  H      -6.038870     -5.235160      8.443704
  H      -5.162069     -4.967208      6.123249
  H      -4.930137     -3.507554      7.093690
  H      -2.671692     -2.575218      6.137869
  H      -2.851692     -3.379569      9.068161
  H      -3.616304     -2.022971      8.244855
  H      -1.719263     -0.688737      8.792961
  H      -0.998761     -2.092767      9.580286
  H       0.582852     -1.847988      7.780510
  H      -0.648210     -1.172245      6.697850
  H      -0.461778     -4.092796      7.597309
  H      -0.426780     -3.516844      5.918044
  H      -2.357225     -5.359451      8.479173
  H      -1.473605     -6.012257      7.124442
  N      -4.756370     -2.272947      4.543076
  H      -5.562308     -1.941167      3.992551
  H      -4.039102     -1.543419      4.510592
  H      -5.060181     -2.349953      5.515894
  N      -5.551042     -3.307560      2.163002
  N      -6.694035     -2.685163      2.178260
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.949437802332
  N      -2.694013     -3.663513      2.115569
  C      -2.725728     -4.620104      1.022607
  C      -2.477573     -5.991941      1.604929
  N      -3.427935     -6.217686      2.730337
  C      -4.636993     -6.923168      2.259269
  C      -5.778035     -6.768165      3.244580
  N      -5.950036     -5.372031      3.648902
  Mo     -4.140669     -4.250778      3.535705
  N      -2.986835     -4.871322      5.115089
  C      -2.004785     -5.848738      4.645799
  C      -2.743240     -6.913752      3.846848
  H      -1.444524     -6.346952      5.446481
  H      -1.254078     -5.360063      3.995549
  H      -3.495944     -7.378373      4.496324
  H      -2.075364     -7.699345      3.446515
  H      -6.667640     -7.163103      2.720685
  H      -5.616630     -7.443050      4.114265
  H      -4.920491     -6.459902      1.301577
  H      -4.412273     -7.991287      2.069103
  H      -1.973249     -4.421151      0.247473
  H      -3.698254     -4.622858      0.472300
  H      -1.456918     -6.020474      2.007835
  H      -2.582342     -6.804214      0.864113
  C       0.908670     -1.581541     -3.276183
  C       0.024685     -1.293317     -2.064574
  C      -0.974541     -2.436329     -1.813821
  N      -1.903044     -2.293679     -0.698043
  C      -2.898261     -1.247273     -0.873434
  C      -3.945659     -1.364154      0.223791
  C      -3.291626     -1.253811      1.598955
  C      -2.172292     -2.299329      1.827621
  C      -1.328678     -1.915100      3.091868
  C      -0.888953     -0.428787      3.222985
  C       0.563320     -0.454221      3.722756
  C       1.136042     -1.716622      3.070578
  C      -0.007523     -2.728837      3.220155
  C      -1.233570     -2.223090      0.596590
  C     -10.457768     -1.062473      7.629112
  C     -10.165816     -2.482919      7.147850
  C      -8.896158     -2.543305      6.301177
  N      -8.645291     -3.845495      5.699169
  C      -8.461881     -4.900278      6.699440
  C      -7.842841     -6.146674      6.050368
  C      -8.169001     -6.158316      4.560608
  C      -7.410732     -5.005920      3.825661
  C      -8.169915     -4.737163      2.469466
  C      -9.697869     -4.519120      2.630141
  C     -10.124964     -3.673337      1.430204
  C      -8.972834     -2.686294      1.263424
  C      -7.712227     -3.501156      1.567503
  C      -7.510644     -3.782618      4.774887
  C      -1.374288     -9.799967      9.099534
  C      -2.024704     -8.421343      9.003593
  C      -2.678876     -8.199611      7.628964
  N      -3.350459     -6.928505      7.405171
  C      -4.590828     -6.756751      8.164513
  C      -4.955663     -5.271214      8.255797
  C      -4.584118     -4.515415      6.980551
  C      -3.075804     -4.611517      6.590315
  C      -2.333858     -3.287541      6.933170
  C      -2.645450     -2.612583      8.293412
  C      -1.405092     -1.738401      8.627504
  C      -0.405735     -1.972524      7.473544
  C      -0.798413     -3.346506      6.930114
  C      -2.496553     -5.752974      7.458676
  H       1.627336     -0.769887     -3.458651
  H       0.303261     -1.703882     -4.187831
  H       1.482758     -2.510626     -3.134338
  H      -0.523250     -0.349838     -2.218692
  H       0.654549     -1.149014     -1.172208
  H      -1.576710     -2.584680     -2.727620
  H      -0.404926     -3.370892     -1.655600
  H      -2.448849     -0.225452     -0.844549
  H      -3.354312     -1.370657     -1.869204
  H      -4.707377     -0.577427      0.106812
  H      -4.460975     -2.330765      0.134449
  H      -2.868138     -0.241037      1.697481
  H      -4.054899     -1.372425      2.373980
  H      -1.977751     -2.181838      3.940583
  H      -0.917686      0.068328      2.241311
  H      -1.555294      0.145117      3.883297
  H       1.117063      0.462072      3.469498
  H       0.594775     -0.562223      4.819786
  H       1.343722     -1.524364      2.005055
  H       2.074088     -2.057269      3.533030
  H       0.052780     -3.185739      4.215461
  H       0.038591     -3.558883      2.503496
  H      -0.493225     -3.036484      0.633457
  H      -0.662875     -1.275487      0.695873
  H      -9.625394     -0.670028      8.233490
  H     -10.601948     -0.378705      6.778728
  H     -11.365139     -1.026725      8.248108
  H     -10.067970     -3.152834      8.016243
  H     -11.009108     -2.862241      6.547499
  H      -8.030562     -2.221809      6.934542
  H      -8.974960     -1.809021      5.482312
  H      -9.445451     -5.147753      7.127578
  H      -7.822139     -4.536953      7.536422
  H      -6.750802     -6.148837      6.166514
  H      -8.218946     -7.051773      6.549765
  H      -7.941715     -7.134605      4.120020
  H      -9.248429     -6.010758      4.440760
  H      -8.017768     -5.644457      1.859045
  H     -10.253807     -5.465137      2.686309
  H      -9.884109     -3.973720      3.568380
  H     -10.213592     -4.297886      0.525000
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  H      -9.017980     -1.888076      2.023037
  H      -8.937633     -2.205899      0.276003
  H      -5.633120     -4.153491      1.526041
  H      -7.285680     -3.927919      0.632552
  H      -6.560250     -3.713965      5.333696
  H      -7.611106     -2.863684      4.184560
  H      -2.118058    -10.598774      8.953789
  H      -0.900453     -9.959531     10.078509
  H      -0.599073     -9.927476      8.327812
  H      -2.778319     -8.310734      9.799650
  H      -1.267621     -7.639080      9.177539
  H      -1.901985     -8.314152      6.851457
  H      -3.416549     -9.002485      7.449712
  H      -4.511502     -7.161348      9.195780
  H      -5.390970     -7.328225      7.661569
  H      -4.445710     -4.817681      9.118918
  H      -6.032421     -5.169932      8.455848
  H      -5.153756     -4.923337      6.134055
  H      -4.890622     -3.465058      7.101648
  H      -2.618950     -2.576354      6.138417
  H      -2.791725     -3.371179      9.075890
  H      -3.570566     -2.021057      8.252787
  H      -1.662083     -0.675527      8.738199
  H      -0.962336     -2.056421      9.582738
  H       0.642901     -1.907669      7.796560
  H      -0.553307     -1.215565      6.686310
  H      -0.446349     -4.127310      7.624702
  H      -0.384574     -3.571572      5.940076
  H      -2.364949     -5.367382      8.491501
  H      -1.487015     -6.035326      7.140474
  N      -4.756229     -2.276545      4.521541
  H      -5.576978     -1.964230      3.979569
  H      -4.049451     -1.538235      4.465405
  H      -5.042126     -2.344168      5.500614
  N      -5.535438     -3.341086      2.159262
  N      -6.661569     -2.684478      2.183062
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.950364620464
  N      -2.685391     -3.675325      2.113378
  C      -2.711449     -4.634827      1.023859
  C      -2.466440     -6.005177      1.609486
  N      -3.419839     -6.227904      2.734344
  C      -4.629184     -6.932137      2.265015
  C      -5.768542     -6.778147      3.255848
  N      -5.936701     -5.381714      3.661658
  Mo     -4.129028     -4.259953      3.541132
  N      -2.965247     -4.879887      5.120111
  C      -1.989114     -5.855462      4.641537
  C      -2.730865     -6.923438      3.850929
  H      -1.413376     -6.349226      5.433886
  H      -1.250803     -5.363574      3.979380
  H      -3.479265     -7.386717      4.505307
  H      -2.063657     -7.708909      3.449466
  H      -6.658686     -7.170781      2.734375
  H      -5.605868     -7.455309      4.123891
  H      -4.916710     -6.466044      1.309638
  H      -4.404466     -7.999955      2.071028
  H      -1.954562     -4.438034      0.251560
  H      -3.681904     -4.636250      0.469826
  H      -1.446045     -6.037997      2.012626
  H      -2.571513     -6.816750      0.868241
  C       0.968031     -1.596089     -3.251757
  C       0.051376     -1.309841     -2.064292
  C      -0.924513     -2.473119     -1.815368
  N      -1.881656     -2.334190     -0.723945
  C      -2.899247     -1.318360     -0.940677
  C      -3.968444     -1.446143      0.134220
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  C      -2.205975     -2.299628      1.799127
  C      -1.408092     -1.850920      3.071038
  C      -1.003219     -0.352004      3.153544
  C       0.431411     -0.326554      3.700797
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  C      -0.077604     -2.630648      3.282295
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  C     -10.441865     -1.060488      7.637610
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  C      -8.170267     -6.152304      4.554545
  C      -7.397148     -5.005679      3.830463
  C      -8.150036     -4.716592      2.473595
  C      -9.678685     -4.503936      2.637648
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  C      -8.952257     -2.617835      1.346542
  C      -7.694350     -3.460277      1.599556
  C      -7.491715     -3.784656      4.786515
  C      -1.420802     -9.850837      9.073255
  C      -2.044914     -8.459865      8.984263
  C      -2.709488     -8.225439      7.616608
  N      -3.361529     -6.941826      7.398528
  C      -4.593580     -6.750909      8.168170
  C      -4.933858     -5.259629      8.265553
  C      -4.556849     -4.510422      6.986051
  C      -3.051401     -4.626629      6.592570
  C      -2.291462     -3.312152      6.936496
  C      -2.618246     -2.616492      8.281881
  C      -1.377730     -1.743579      8.620188
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  C      -2.488647     -5.779879      7.457962
  H       1.669809     -0.769486     -3.433040
  H       0.385433     -1.748982     -4.173668
  H       1.561821     -2.507899     -3.081710
  H      -0.516132     -0.382801     -2.245739
  H       0.658253     -1.135494     -1.161336
  H      -1.501266     -2.652875     -2.739835
  H      -0.335812     -3.390280     -1.626881
  H      -2.477864     -0.284519     -0.919293
  H      -3.328522     -1.470723     -1.944342
  H      -4.748529     -0.683429     -0.016131
  H      -4.454233     -2.428338      0.050946
  H      -2.955955     -0.264057      1.605441
  H      -4.125984     -1.411384      2.283446
  H      -2.081090     -2.094285      3.908248
  H      -1.009712      0.104206      2.151798
  H      -1.701630      0.236048      3.767315
  H       0.975499      0.589705      3.426910
  H       0.426125     -0.388172      4.802335
  H       1.288076     -1.454375      2.056310
  H       1.979738     -1.904295      3.628639
  H      -0.046380     -3.033722      4.301750
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  H      -0.486429     -3.017301      0.653744
  H      -0.698954     -1.261352      0.677173
  H      -9.615714     -0.683800      8.260273
  H     -10.566460     -0.364253      6.794258
  H     -11.358829     -1.023200      8.242442
  H     -10.080274     -3.158332      8.007106
  H     -10.994954     -2.842901      6.527581
  H      -8.017151     -2.234555      6.968587
  H      -8.931770     -1.800635      5.504947
  H      -9.444347     -5.142535      7.122202
  H      -7.815873     -4.552390      7.538827
  H      -6.755435     -6.165393      6.158822
  H      -8.232885     -7.055920      6.539700
  H      -7.954103     -7.129404      4.108692
  H      -9.245294     -5.987249      4.428362
  H      -7.989346     -5.611699      1.846788
  H     -10.236184     -5.450070      2.659041
  H      -9.868036     -3.991616      3.595086
  H     -10.193608     -4.197948      0.544319
  H     -11.082270     -3.129032      1.644017
  H      -8.996254     -1.857288      2.144049
  H      -8.918469     -2.095572      0.380775
  H      -5.656930     -4.184560      1.539100
  H      -7.298660     -3.866032      0.642124
  H      -6.542862     -3.725259      5.346618
  H      -7.580030     -2.861349      4.200056
  H      -2.181160    -10.635400      8.936601
  H      -0.937661    -10.019231     10.046133
  H      -0.657542     -9.991170      8.291654
  H      -2.788781     -8.333667      9.787012
  H      -1.270438     -7.693083      9.151100
  H      -1.945198     -8.352327      6.828877
  H      -3.463723     -9.014987      7.445976
  H      -4.509958     -7.166858      9.193935
  H      -5.410708     -7.301146      7.670472
  H      -4.419590     -4.816265      9.131043
  H      -6.009388     -5.144607      8.461578
  H      -5.135936     -4.915089      6.143209
  H      -4.845906     -3.454470      7.103932
  H      -2.542038     -2.606032      6.124342
  H      -2.773164     -3.363105      9.074921
  H      -3.541370     -2.023431      8.223513
  H      -1.624444     -0.674144      8.678888
  H      -0.971754     -2.027811      9.602133
  H       0.692771     -1.994810      7.867537
  H      -0.437571     -1.290992      6.698322
  H      -0.449519     -4.182455      7.705945
  H      -0.314688     -3.666935      6.014525
  H      -2.347280     -5.401522      8.492729
  H      -1.485338     -6.081148      7.138232
  N      -4.740091     -2.279599      4.508287
  H      -5.567180     -1.969973      3.971554
  H      -4.031290     -1.544493      4.436114
  H      -5.013527     -2.337289      5.492330
  N      -5.520219     -3.368194      2.165836
  N      -6.619507     -2.675063      2.203541
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.951141820904
  N      -2.676521     -3.669181      2.115012
  C      -2.706075     -4.620080      1.018424
  C      -2.451507     -5.994401      1.595385
  N      -3.397641     -6.228633      2.725746
  C      -4.602592     -6.942720      2.261368
  C      -5.740857     -6.795658      3.256263
  N      -5.918289     -5.400843      3.662590
  Mo     -4.119445     -4.268085      3.539468
  N      -2.956019     -4.889367      5.119269
  C      -1.969950     -5.852158      4.635809
  C      -2.699541     -6.923419      3.839969
  H      -1.386379     -6.341581      5.425472
  H      -1.236582     -5.348759      3.976373
  H      -3.442195     -7.397334      4.493360
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  H      -6.629265     -7.195977      2.738808
  H      -5.571177     -7.469118      4.125602
  H      -4.896786     -6.479532      1.306496
  H      -4.370275     -8.008931      2.067422
  H      -1.954940     -4.415086      0.242442
  H      -3.680413     -4.621318      0.471169
  H      -1.428527     -6.026421      1.991538
  H      -2.557655     -6.801007      0.849115
  C       0.936060     -1.559646     -3.260472
  C       0.021788     -1.278570     -2.070001
  C      -0.942778     -2.449763     -1.814309
  N      -1.897100     -2.316542     -0.720217
  C      -2.924733     -1.310025     -0.933698
  C      -3.988588     -1.443787      0.146099
  C      -3.365355     -1.281711      1.530564
  C      -2.214356     -2.285900      1.804947
  C      -1.411632     -1.833666      3.072496
  C      -1.002785     -0.335534      3.150486
  C       0.434921     -0.312664      3.690504
  C       1.046539     -1.594634      3.114240
  C      -0.084777     -2.615425      3.286414
  C      -1.258689     -2.202787      0.587489
  C     -10.479725     -1.116799      7.621506
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  C      -7.485243     -3.807867      4.783690
  C      -1.549333     -9.852702      9.144782
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  N      -3.412809     -6.918261      7.427644
  C      -4.634534     -6.675444      8.200543
  C      -4.932612     -5.173807      8.269101
  C      -4.534380     -4.460712      6.975899
  C      -3.031611     -4.623177      6.587554
  C      -2.229767     -3.328778      6.916418
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  C      -1.277977     -1.745867      8.562857
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  C      -2.501414     -5.784006      7.463704
  H       1.630065     -0.727526     -3.446339
  H       0.351192     -1.719432     -4.179772
  H       1.538140     -2.466030     -3.090856
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  H       0.630923     -1.096436     -1.170099
  H      -1.521433     -2.636863     -2.736080
  H      -0.345580     -3.361473     -1.625891
  H      -2.512199     -0.272583     -0.915575
  H      -3.356853     -1.467301     -1.935390
  H      -4.773872     -0.685909     -0.002402
  H      -4.469115     -2.429342      0.065206
  H      -2.972786     -0.253425      1.605942
  H      -4.136701     -1.397842      2.297025
  H      -2.080276     -2.072586      3.913507
  H      -1.012751      0.120981      2.148826
  H      -1.695935      0.255917      3.766998
  H       0.980593      0.600792      3.410615
  H       0.433473     -0.370959      4.792097
  H       1.278892     -1.450787      2.046057
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  H      -0.055337     -3.005047      4.311548
  H       0.000265     -3.489098      2.627594
  H      -0.495377     -2.993609      0.654112
  H      -0.716545     -1.238545      0.678607
  H      -9.664813     -0.741108      8.259310
  H     -10.594824     -0.414697      6.781686
  H     -11.405951     -1.087511      8.212555
  H     -10.115775     -3.215212      7.981600
  H     -11.008768     -2.893796      6.490606
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  H      -8.934755     -1.832477      5.508074
  H      -9.448648     -5.193239      7.092655
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  H      -6.738240     -6.178389      6.144565
  H      -8.205411     -7.091118      6.518670
  H      -7.925124     -7.153103      4.087946
  H      -9.223895     -6.018715      4.406336
  H      -7.942668     -5.604229      1.818287
  H     -10.203330     -5.491715      2.588174
  H      -9.868526     -4.068748      3.589288
  H     -10.165092     -4.145651      0.533406
  H     -11.070526     -3.131120      1.671256
  H      -8.991868     -1.879471      2.254120
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  H      -5.674389     -4.208949      1.546000
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  H      -7.570373     -2.882450      4.200061
  H      -2.336189    -10.614793      9.033977
  H      -1.060228    -10.015635     10.115590
  H      -0.800090    -10.034293      8.358139
  H      -2.858836     -8.276235      9.839494
  H      -1.327364     -7.700220      9.174271
  H      -2.050319     -8.385787      6.873017
  H      -3.582576     -8.984491      7.521933
  H      -4.556711     -7.076566      9.232658
  H      -5.471021     -7.209250      7.717603
  H      -4.412123     -4.727786      9.129313
  H      -6.006346     -5.027426      8.455063
  H      -5.125234     -4.866729      6.142339
  H      -4.793644     -3.394934      7.071102
  H      -2.451021     -2.627412      6.092341
  H      -2.696892     -3.332971      9.057321
  H      -3.449777     -1.995582      8.188197
  H      -1.499697     -0.669429      8.571213
  H      -0.889047     -1.995481      9.560879
  H       0.791203     -2.100777      7.847017
  H      -0.291612     -1.384665      6.642439
  H      -0.431196     -4.244231      7.729753
  H      -0.254802     -3.783476      6.026462
  H      -2.335827     -5.395405      8.491116
  H      -1.512011     -6.125931      7.140466
  N      -4.739628     -2.292617      4.499727
  H      -5.581847     -1.995609      3.977632
  H      -4.038926     -1.552156      4.405805
  H      -4.988553     -2.345065      5.490790
  N      -5.513737     -3.393950      2.168280
  N      -6.600516     -2.674430      2.218092
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.952005924605
  N      -2.676416     -3.672415      2.106895
  C      -2.712487     -4.621530      1.007775
  C      -2.450859     -5.997789      1.580280
  N      -3.387949     -6.237664      2.717007
  C      -4.591511     -6.960544      2.262927
  C      -5.725147     -6.815462      3.263562
  N      -5.906925     -5.422557      3.673891
  Mo     -4.117526     -4.279817      3.531528
  N      -2.946036     -4.899808      5.108980
  C      -1.951981     -5.851266      4.618252
  C      -2.677304     -6.928192      3.827135
  H      -1.357851     -6.334224      5.404882
  H      -1.225357     -5.341507      3.955391
  H      -3.412585     -7.407767      4.485622
  H      -1.999417     -7.698747      3.415981
  H      -6.614622     -7.219874      2.750805
  H      -5.550387     -7.485886      4.133655
  H      -4.893811     -6.502592      1.307942
  H      -4.354678     -8.025920      2.071495
  H      -1.968438     -4.413613      0.226659
  H      -3.690834     -4.624100      0.468066
  H      -1.425103     -6.027518      1.969310
  H      -2.560135     -6.802883      0.832957
  C       0.984507     -1.512640     -3.221791
  C       0.043184     -1.244127     -2.049593
  C      -0.902432     -2.433025     -1.804957
  N      -1.877693     -2.314108     -0.728450
  C      -2.921603     -1.329052     -0.961931
  C      -4.001115     -1.479286      0.099979
  C      -3.403538     -1.298868      1.493471
  C      -2.239425     -2.281564      1.793200
  C      -1.458667     -1.803963      3.065249
  C      -1.085502     -0.296253      3.141394
  C       0.346515     -0.237829      3.695660
  C       0.992662     -1.508479      3.132561
  C      -0.117949     -2.553362      3.297967
  C      -1.264922     -2.190456      0.590323
  C     -10.510167     -1.120759      7.579324
  C     -10.205369     -2.535362      7.090882
  C      -8.896746     -2.592367      6.304198
  N      -8.629372     -3.883857      5.691709
  C      -8.462631     -4.945588      6.686192
  C      -7.821723     -6.184513      6.044315
  C      -8.134736     -6.194307      4.553970
  C      -7.368098     -5.043243      3.830449
  C      -8.111663     -4.740209      2.469934
  C      -9.650916     -4.581102      2.616561
  C     -10.091404     -3.600177      1.525287
  C      -8.949636     -2.588850      1.495439
  C      -7.688166     -3.437281      1.644228
  C      -7.479264     -3.819384      4.789546
  C      -1.665394     -9.873438      9.173814
  C      -2.188959     -8.444653      9.045026
  C      -2.887119     -8.218335      7.693490
  N      -3.457028     -6.902082      7.446619
  C      -4.654581     -6.607062      8.237994
  C      -4.905989     -5.095807      8.277150
  C      -4.499030     -4.421413      6.967374
  C      -3.003145     -4.629011      6.576181
  C      -2.156973     -3.361035      6.899696
  C      -2.429516     -2.628723      8.235259
  C      -1.149649     -1.795875      8.527054
  C      -0.126230     -2.206359      7.441756
  C      -0.633734     -3.564885      6.956056
  C      -2.504500     -5.801768      7.455044
  H       1.665458     -0.667976     -3.399187
  H       0.420060     -1.688162     -4.150933
  H       1.600964     -2.406215     -3.036671
  H      -0.548289     -0.335388     -2.245954
  H       0.632182     -1.044630     -1.140002
  H      -1.461709     -2.635181     -2.735539
  H      -0.291101     -3.332281     -1.602733
  H      -2.530464     -0.283333     -0.939258
  H      -3.333112     -1.496887     -1.970599
  H      -4.797046     -0.735946     -0.065309
  H      -4.463001     -2.473762      0.014461
  H      -3.027130     -0.264867      1.565647
  H      -4.187605     -1.416110      2.247459
  H      -2.124833     -2.054065      3.903964
  H      -1.095539      0.158873      2.138868
  H      -1.797788      0.280932      3.749160
  H       0.873889      0.686631      3.417358
  H       0.333875     -0.291778      4.796876
  H       1.233330     -1.363874      2.066186
  H       1.924633     -1.786863      3.646453
  H      -0.094224     -2.933656      4.327518
  H      -0.007617     -3.429099      2.646184
  H      -0.494505     -2.973575      0.672734
  H      -0.733104     -1.220475      0.688386
  H      -9.706041     -0.742785      8.229303
  H     -10.610463     -0.421858      6.734854
  H     -11.446370     -1.088063      8.154266
  H     -10.155067     -3.217581      7.953952
  H     -11.020582     -2.901952      6.445738
  H      -8.060452     -2.284454      6.982293
  H      -8.932377     -1.842393      5.495937
  H      -9.453073     -5.204364      7.092799
  H      -7.847637     -4.589913      7.544592
  H      -6.729092     -6.168539      6.168189
  H      -8.188104     -7.094540      6.541040
  H      -7.906966     -7.169956      4.111632
  H      -9.211097     -6.039936      4.420682
  H      -7.913030     -5.609383      1.818204
  H     -10.179830     -5.542130      2.551345
  H      -9.876324     -4.151545      3.606169
  H     -10.159096     -4.116100      0.551901
  H     -11.074313     -3.149248      1.724781
  H      -9.001388     -1.918298      2.369602
  H      -8.926994     -1.962270      0.592576
  H      -5.708678     -4.252727      1.554856
  H      -7.350980     -3.789758      0.645712
  H      -6.538585     -3.756059      5.364210
  H      -7.559969     -2.897618      4.200533
  H      -2.485749    -10.604267      9.102402
  H      -1.155793    -10.035619     10.134208
  H      -0.946903    -10.103429      8.371432
  H      -2.889278     -8.229245      9.867959
  H      -1.354300     -7.732053      9.149950
  H      -2.165191     -8.429730      6.883417
  H      -3.701813     -8.956486      7.584067
  H      -4.570140     -6.988815      9.277316
  H      -5.514211     -7.126541      7.780661
  H      -4.366761     -4.646567      9.124066
  H      -5.974628     -4.914547      8.465690
  H      -5.104756     -4.831380      6.148080
  H      -4.730229     -3.347732      7.040175
  H      -2.363122     -2.652650      6.079105
  H      -2.591259     -3.357089      9.044233
  H      -3.331565     -2.003401      8.189420
  H      -1.346671     -0.714739      8.509620
  H      -0.764155     -2.029731      9.530041
  H       0.906352     -2.236069      7.818388
  H      -0.144089     -1.486420      6.607530
  H      -0.388762     -4.333679      7.707272
  H      -0.199163     -3.886146      6.000464
  H      -2.307168     -5.407908      8.474832
  H      -1.534011     -6.185900      7.120712
  N      -4.738419     -2.302305      4.476183
  H      -5.584906     -2.011437      3.956021
  H      -4.038050     -1.563434      4.368736
  H      -4.976510     -2.344937      5.469754
  N      -5.519696     -3.433314      2.165441
  N      -6.589598     -2.687397      2.226583
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.952881914411
  N      -2.692933     -3.653747      2.095535
  C      -2.740898     -4.597264      0.990666
  C      -2.467453     -5.977543      1.552477
  N      -3.387096     -6.229960      2.700161
  C      -4.587583     -6.971181      2.266300
  C      -5.708667     -6.833617      3.280489
  N      -5.899971     -5.443551      3.692988
  Mo     -4.130907     -4.276766      3.517588
  N      -2.947531     -4.898761      5.088301
  C      -1.936923     -5.827447      4.586166
  C      -2.654790     -6.912729      3.801030
  H      -1.327604     -6.300777      5.368050
  H      -1.221756     -5.306277      3.919412
  H      -3.378008     -7.402980      4.466491
  H      -1.972762     -7.673798      3.379928
  H      -6.601555     -7.249328      2.780610
  H      -5.518138     -7.495568      4.153145
  H      -4.908503     -6.523226      1.312439
  H      -4.340737     -8.034260      2.077993
  H      -2.009206     -4.380812      0.200912
  H      -3.726417     -4.600431      0.464974
  H      -1.436783     -6.000337      1.929195
  H      -2.581493     -6.779970      0.803076
  C       1.064405     -1.478589     -3.156519
  C       0.087019     -1.213446     -2.013323
  C      -0.844417     -2.415628     -1.779214
  N      -1.844370     -2.303373     -0.725458
  C      -2.896434     -1.333590     -0.985903
  C      -3.995834     -1.486182      0.055189
  C      -3.425624     -1.289276      1.457947
  C      -2.262238     -2.261382      1.788258
  C      -1.497974     -1.771312      3.064652
  C      -1.139511     -0.260069      3.138299
  C       0.280893     -0.188333      3.722643
  C       0.950297     -1.451722      3.170931
  C      -0.153077     -2.509359      3.309909
  C      -1.261652     -2.173557      0.605429
  C     -10.541145     -1.121809      7.534480
  C     -10.226112     -2.541447      7.066236
  C      -8.908782     -2.600822      6.295432
  N      -8.627123     -3.899301      5.700933
  C      -8.441944     -4.943601      6.713301
  C      -7.789853     -6.183781      6.088322
  C      -8.107254     -6.219534      4.598850
  C      -7.359604     -5.069184      3.853421
  C      -8.115782     -4.784552      2.495310
  C      -9.657435     -4.657815      2.648567
  C     -10.119938     -3.668010      1.571058
  C      -8.994954     -2.638581      1.555931
  C      -7.726238     -3.471580      1.668287
  C      -7.478192     -3.832703      4.798067
  C      -1.802186     -9.899367      9.166565
  C      -2.262597     -8.449282      9.032422
  C      -2.989502     -8.206614      7.699648
  N      -3.508474     -6.869592      7.458445
  C      -4.669886     -6.520294      8.278240
  C      -4.874394     -5.000978      8.279802
  C      -4.461987     -4.370048      6.951937
  C      -2.976346     -4.624319      6.555467
  C      -2.085549     -3.385844      6.873187
  C      -2.318926     -2.652972      8.214771
  C      -1.013734     -1.856248      8.491328
  C      -0.011433     -2.299863      7.398804
  C      -0.568508     -3.636437      6.903440
  C      -2.510314     -5.812227      7.433195
  H       1.735332     -0.624220     -3.325565
  H       0.528943     -1.674648     -4.098659
  H       1.691031     -2.358964     -2.944183
  H      -0.514873     -0.317897     -2.236457
  H       0.647625     -0.991630     -1.091007
  H      -1.380043     -2.634668     -2.720058
  H      -0.223570     -3.303170     -1.556256
  H      -2.519666     -0.282382     -0.961725
  H      -3.284452     -1.512802     -2.001891
  H      -4.792490     -0.748408     -0.131050
  H      -4.450950     -2.483929     -0.032124
  H      -3.052491     -0.254276      1.525616
  H      -4.228649     -1.393205      2.194326
  H      -2.162009     -2.021659      3.904469
  H      -1.131675      0.192043      2.134047
  H      -1.868570      0.313706      3.728595
  H       0.804749      0.742060      3.458786
  H       0.242538     -0.245470      4.822321
  H       1.210701     -1.300707      2.109937
  H       1.874563     -1.722400      3.702405
  H      -0.142295     -2.900992      4.336132
  H      -0.029932     -3.375154      2.647493
  H      -0.494018     -2.957896      0.707953
  H      -0.729215     -1.203828      0.711560
  H      -9.746432     -0.733894      8.190184
  H     -10.631727     -0.433054      6.680400
  H     -11.484971     -1.083763      8.096509
  H     -10.188058     -3.212683      7.938462
  H     -11.030926     -2.917239      6.413277
  H      -8.078896     -2.282328      6.975649
  H      -8.942977     -1.859974      5.478471
  H      -9.425426     -5.207065      7.134830
  H      -7.828558     -4.563644      7.564233
  H      -6.699363     -6.154484      6.217026
  H      -8.148121     -7.091201      6.595800
  H      -7.867844     -7.196972      4.168102
  H      -9.188526     -6.085407      4.470608
  H      -7.907488     -5.651301      1.844731
  H     -10.167422     -5.629228      2.574365
  H      -9.892139     -4.242665      3.641108
  H     -10.181146     -4.176257      0.592933
  H     -11.108428     -3.235273      1.780378
  H      -9.062141     -1.987136      2.443906
  H      -8.991750     -1.986646      0.670234
  H      -5.746906     -4.306666      1.553123
  H      -7.430924     -3.812416      0.651282
  H      -6.538516     -3.756464      5.375010
  H      -7.562865     -2.920263      4.196216
  H      -2.657828    -10.591588      9.133971
  H      -1.269032    -10.071718     10.112446
  H      -1.122400    -10.175968      8.345528
  H      -2.925965     -8.190656      9.873726
  H      -1.393496     -7.774725      9.102409
  H      -2.301118     -8.458742      6.871287
  H      -3.839289     -8.907919      7.621705
  H      -4.568268     -6.873852      9.326825
  H      -5.553670     -7.030454      7.857930
  H      -4.312716     -4.545436      9.108530
  H      -5.936697     -4.783044      8.472779
  H      -5.082356     -4.788490      6.149890
  H      -4.666072     -3.289603      6.999132
  H      -2.285752     -2.668292      6.059949
  H      -2.493082     -3.381582      9.020333
  H      -3.202499     -2.000585      8.184614
  H      -1.182635     -0.770434      8.467811
  H      -0.624617     -2.092291      9.492345
  H       1.021265     -2.369880      7.770296
  H      -0.006612     -1.575383      6.570466
  H      -0.338888     -4.421546      7.643255
  H      -0.153784     -3.958387      5.938432
  H      -2.273217     -5.417283      8.443752
  H      -1.565924     -6.242535      7.080645
  N      -4.758831     -2.295462      4.436715
  H      -5.610246     -2.018391      3.915591
  H      -4.062585     -1.555933      4.310290
  H      -4.985254     -2.320752      5.432714
  N      -5.548373     -3.474852      2.149139
  N      -6.609470     -2.719000      2.212398
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.953573449422
  N      -2.692809     -3.661155      2.087710
  C      -2.745675     -4.609670      0.985877
  C      -2.470612     -5.988426      1.548485
  N      -3.381157     -6.240812      2.702159
  C      -4.583079     -6.990174      2.284104
  C      -5.697586     -6.849861      3.304944
  N      -5.890484     -5.458022      3.709705
  Mo     -4.128818     -4.284383      3.509101
  N      -2.933162     -4.896690      5.075441
  C      -1.914293     -5.812247      4.566784
  C      -2.632559     -6.911130      3.798656
  H      -1.289102     -6.271453      5.344641
  H      -1.213795     -5.287518      3.887238
  H      -3.346567     -7.401699      4.473910
  H      -1.950633     -7.670826      3.374456
  H      -6.593114     -7.271473      2.813022
  H      -5.498785     -7.504610      4.181203
  H      -4.912999     -6.552254      1.328635
  H      -4.334371     -8.053898      2.102533
  H      -2.017629     -4.393970      0.192414
  H      -3.733792     -4.614327      0.465743
  H      -1.437845     -6.007899      1.919942
  H      -2.588212     -6.792658      0.801585
  C       1.147933     -1.409005     -3.079330
  C       0.126908     -1.166761     -1.969703
  C      -0.773456     -2.395901     -1.754373
  N      -1.804817     -2.308649     -0.728896
  C      -2.876460     -1.370780     -1.023106
  C      -4.000478     -1.548336     -0.012413
  C      -3.475494     -1.328714      1.404660
  C      -2.294837     -2.263748      1.772452
  C      -1.580612     -1.749730      3.067817
  C      -1.272168     -0.228943      3.154734
  C       0.126549     -0.116275      3.784812
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  C      -9.654695     -4.721090      2.662578
  C     -10.130779     -3.718343      1.601152
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  C      -7.746430     -3.497063      1.685182
  C      -7.465913     -3.841324      4.805564
  C      -1.971982     -9.948575      9.126902
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  N      -3.560403     -6.832456      7.459413
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  H      -9.399827     -5.198067      7.164063
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  H      -7.839419     -7.213627      4.215389
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  H      -3.012876     -8.198165      9.858421
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  H      -0.283558     -4.496355      7.614659
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  H      -4.068622     -1.552989      4.250787
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  N      -5.559779     -3.524598      2.136043
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.954437486445
  N      -2.694678     -3.644867      2.101190
  C      -2.744200     -4.596911      1.001751
  C      -2.464712     -5.973780      1.562640
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  H      -1.260501     -6.212153      5.346278
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  H      -1.430830     -5.986926      1.931561
  H      -2.580604     -6.778112      0.815787
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  H      -7.866569     -5.757193      1.907474
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  H      -9.158097     -2.134213      2.501980
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  H      -1.545900     -7.935182      9.017110
  H      -2.553068     -8.471827      6.790377
  H      -4.106902     -8.817714      7.557989
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  H      -5.620774     -6.849694      7.991984
  H      -4.175089     -4.416017      9.119232
  H      -5.832583     -4.545538      8.546567
  H      -5.028827     -4.666651      6.188000
  H      -4.523911     -3.169602      7.002613
  H      -2.094249     -2.710976      6.019938
  H      -2.247494     -3.378019      9.001032
  H      -2.939737     -1.983291      8.170259
  H      -0.861734     -0.831247      8.284929
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  H       1.249155     -2.591662      7.643454
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  H      -0.240831     -4.562110      7.608499
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  N      -5.580039     -3.576440      2.109242
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.955482161056
  N      -2.692805     -3.629582      2.088641
  C      -2.743879     -4.578409      0.986944
  C      -2.452563     -5.955211      1.541334
  N      -3.342251     -6.227007      2.707870
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  C      -5.633201     -6.886984      3.352225
  N      -5.850721     -5.494075      3.742872
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  C      -2.567594     -6.869016      3.800810
  H      -1.215572     -6.166033      5.320234
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  H      -4.263961     -8.063615      2.128065
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  H      -1.414595     -5.966006      1.898448
  H      -2.571492     -6.755965      0.791369
  C       1.168962     -1.344915     -3.061794
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  C      -0.748019     -2.354913     -1.748671
  N      -1.788245     -2.278739     -0.729849
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  C      -1.612026     -1.707371      3.072833
  C      -1.323736     -0.184240      3.157113
  C       0.030899     -0.056885      3.871117
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  H      -2.299586     -1.980236      3.886110
  H      -1.243238      0.254595      2.150605
  H      -2.126425      0.363953      3.672277
  H       0.531293      0.902344      3.672411
  H      -0.104975     -0.139734      4.964987
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  H      -6.603110     -6.102327      6.328779
  H      -8.025121     -7.059343      6.756703
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  H      -9.107224     -6.206040      4.600279
  H      -7.834708     -5.804465      1.931581
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  H     -10.203473     -4.415411      0.664313
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  H      -9.196289     -2.203974      2.550725
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  H      -5.827786     -4.503756      1.574184
  H      -7.601882     -3.975440      0.659541
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  H      -1.735677    -10.363427      8.095832
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  H      -1.656572     -7.982915      8.963852
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  H      -4.300242     -8.710776      7.568132
  H      -4.527157     -6.535206      9.436151
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  H      -4.119482     -4.274023      9.093939
  H      -5.786978     -4.356304      8.542801
  H      -5.001311     -4.607347      6.176962
  H      -4.460839     -3.087136      6.928525
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  H      -0.779968     -0.850816      8.268937
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  H       1.313059     -2.656841      7.665497
  H       0.347089     -1.814789      6.439179
  H      -0.205788     -4.598559      7.584694
  H      -0.011709     -4.171885      5.874257
  H      -2.224198     -5.477111      8.391234
  H      -1.696962     -6.376584      6.984876
  N      -4.841243     -2.282519      4.302425
  H      -5.689682     -2.076013      3.738806
  H      -4.176951     -1.519403      4.150537
  H      -5.101489     -2.259926      5.290842
  N      -5.592637     -3.624234      2.086560
  N      -6.642838     -2.841792      2.120435
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.956489069395
  N      -2.703487     -3.622566      2.070918
  C      -2.764399     -4.562730      0.962632
  C      -2.458555     -5.943171      1.503249
  N      -3.323948     -6.226577      2.688305
  C      -4.510386     -7.020649      2.315646
  C      -5.593063     -6.913060      3.379294
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  N      -2.884938     -4.834588      5.036751
  C      -1.838225     -5.709163      4.510680
  C      -2.523060     -6.853207      3.773833
  H      -1.163937     -6.117390      5.274370
  H      -1.199943     -5.158478      3.793812
  H      -3.202715     -7.364324      4.467314
  H      -1.819785     -7.590462      3.344200
  H      -6.486887     -7.379699      2.932325
  H      -5.325870     -7.544629      4.256005
  H      -4.888486     -6.602424      1.369042
  H      -4.229042     -8.076978      2.130566
  H      -2.052209     -4.320039      0.160018
  H      -3.763740     -4.570692      0.465631
  H      -1.413008     -5.958333      1.837434
  H      -2.591659     -6.737098      0.748657
  C       1.210815     -1.273117     -3.021241
  C       0.156479     -1.053613     -1.938932
  C      -0.717663     -2.305004     -1.743917
  N      -1.770710     -2.245313     -0.736674
  C      -2.843929     -1.313308     -1.043742
  C      -3.988031     -1.514457     -0.061532
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  C      -2.308247     -2.227068      1.759920
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  C      -0.023548     -0.074579      3.938976
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  C      -0.290031     -2.399725      3.423399
  C      -1.254757     -2.115117      0.623272
  C     -10.519894     -1.119913      7.422903
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  C      -7.979073     -6.330384      4.757611
  C      -7.287709     -5.189027      3.943625
  C      -8.084117     -4.990713      2.587122
  C      -9.632372     -4.983720      2.758607
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  C      -9.148010     -2.899951      1.691414
  C      -7.826819     -3.668386      1.716612
  C      -7.402814     -3.927120      4.835706
  C      -2.584178    -10.027482      8.939446
  C      -2.753845     -8.510873      8.898643
  C      -3.526834     -8.060313      7.646613
  N      -3.762913     -6.632760      7.481661
  C      -4.713692     -6.059990      8.431021
  C      -4.704850     -4.527535      8.309516
  C      -4.269730     -4.078508      6.912235
  C      -2.849778     -4.549698      6.496946
  C      -1.793582     -3.442463      6.792109
  C      -1.887348     -2.693686      8.140982
  C      -0.519350     -1.986081      8.320596
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  H       1.837547     -0.381357     -3.165183
  H       0.742145     -1.512848     -3.988563
  H       1.876411     -2.111012     -2.760666
  H      -0.481225     -0.196078     -2.208012
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  H      -0.060578     -3.155835     -1.485887
  H      -2.511675     -0.248341     -0.993881
  H      -3.169529     -1.499766     -2.080229
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  H      -1.219246      0.246365      2.165805
  H      -2.165196      0.370368      3.649783
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  H       1.153058     -1.096624      2.427840
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  H     -10.128730     -3.184529      7.923817
  H     -10.977917     -2.973002      6.387972
  H      -8.035303     -2.262284      6.912106
  H      -8.912145     -1.942668      5.393044
  H      -9.338716     -5.201398      7.224638
  H      -7.748677     -4.500391      7.624699
  H      -6.571393     -6.115964      6.372528
  H      -7.987408     -7.080812      6.803380
  H      -7.681915     -7.319329      4.390258
  H      -9.064550     -6.272925      4.630919
  H      -7.809168     -5.855295      1.958494
  H     -10.069283     -5.988656      2.683417
  H      -9.872604     -4.586533      3.757671
  H     -10.222013     -4.502798      0.709256
  H     -11.203537     -3.680139      1.939026
  H      -9.251205     -2.281567      2.599857
  H      -9.222500     -2.228504      0.824394
  H      -5.849660     -4.558747      1.577564
  H      -7.664183     -4.031457      0.675294
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  H      -3.561618    -10.534212      8.954991
  H      -2.025845    -10.350946      9.829399
  H      -2.039518    -10.389872      8.053167
  H      -3.278945     -8.170946      9.805213
  H      -1.765338     -8.022531      8.907445
  H      -2.980661     -8.415266      6.754482
  H      -4.509836     -8.565195      7.629878
  H      -4.483858     -6.335558      9.483680
  H      -5.707920     -6.473734      8.200525
  H      -4.032285     -4.100177      9.066861
  H      -5.706211     -4.130545      8.531906
  H      -4.960104     -4.507196      6.171899
  H      -4.344434     -2.981389      6.852918
  H      -1.928879     -2.698394      5.983670
  H      -2.040274     -3.412727      8.960666
  H      -2.730385     -1.989655      8.171637
  H      -0.608596     -0.896458      8.203604
  H      -0.121884     -2.160815      9.330873
  H       1.429027     -2.781385      7.613452
  H       0.501357     -1.899446      6.387834
  H      -0.146008     -4.671889      7.510947
  H       0.043165     -4.220077      5.807417
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  H      -1.769605     -6.424383      6.925181
  N      -4.872731     -2.290660      4.258683
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  H      -4.218509     -1.516577      4.117226
  H      -5.162170     -2.264561      5.239010
  N      -5.613144     -3.668321      2.064316
  N      -6.665323     -2.880977      2.095874
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.957241831040
  N      -2.697634     -3.601431      2.065692
  C      -2.753469     -4.538987      0.955077
  C      -2.434124     -5.919035      1.491487
  N      -3.290875     -6.209084      2.682509
  C      -4.471677     -7.012227      2.315038
  C      -5.548279     -6.912858      3.387213
  N      -5.794908     -5.522218      3.769108
  Mo     -4.102995     -4.268186      3.485814
  N      -2.859215     -4.807629      5.032690
  C      -1.810446     -5.682407      4.508405
  C      -2.484654     -6.828825      3.768880
  H      -1.135743     -6.087406      5.274345
  H      -1.175598     -5.125661      3.791757
  H      -3.160974     -7.346675      4.460946
  H      -1.773247     -7.558935      3.341914
  H      -6.439945     -7.392579      2.951159
  H      -5.264412     -7.539868      4.261706
  H      -4.857552     -6.595903      1.370875
  H      -4.182231     -8.065971      2.127734
  H      -2.043851     -4.289045      0.152650
  H      -3.753675     -4.551078      0.460742
  H      -1.385815     -5.934569      1.817217
  H      -2.569521     -6.711053      0.735163
  C       1.199915     -1.286574     -3.050154
  C       0.155508     -1.059494     -1.959597
  C      -0.726957     -2.304444     -1.760460
  N      -1.775190     -2.238141     -0.748542
  C      -2.846265     -1.301695     -1.052066
  C      -3.985684     -1.496698     -0.063577
  C      -3.487870     -1.288529      1.365055
  C      -2.296368     -2.207501      1.751033
  C      -1.622099     -1.686370      3.060001
  C      -1.318395     -0.167647      3.152817
  C       0.004870     -0.062181      3.919876
  C       0.791454     -1.275024      3.411357
  C      -0.269639     -2.382916      3.394447
  C      -1.250901     -2.107410      0.608970
  C     -10.577486     -1.225262      7.450406
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  C      -7.401252     -3.948517      4.840862
  C      -2.818098    -10.017060      8.903927
  C      -2.905935     -8.493284      8.879673
  C      -3.682180     -7.993387      7.648764
  N      -3.837373     -6.555046      7.489798
  C      -4.728404     -5.930388      8.461723
  C      -4.679967     -4.400700      8.301265
  C      -4.226825     -3.999002      6.895586
  C      -2.826023     -4.525249      6.492699
  C      -1.746826     -3.448015      6.809464
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  C      -2.596097     -5.805123      7.345125
  H       1.832560     -0.399650     -3.198485
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  H      -0.476676     -0.196321     -2.222837
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  H      -1.210225     -2.549427     -2.722925
  H      -0.075213     -3.160447     -1.506030
  H      -2.508470     -0.238409     -1.008301
  H      -3.179517     -1.489602     -2.085918
  H      -4.795665     -0.782088     -0.279459
  H      -4.406549     -2.508221     -0.167190
  H      -3.185901     -0.232457      1.469800
  H      -4.320895     -1.466628      2.051893
  H      -2.326914     -1.960250      3.860160
  H      -1.185877      0.258836      2.145796
  H      -2.134855      0.396547      3.627841
  H       0.519521      0.897846      3.764063
  H      -0.170852     -0.171977      5.003931
  H       1.168720     -1.075732      2.394375
  H       1.659389     -1.523712      4.040846
  H      -0.338334     -2.830137      4.393415
  H      -0.040910     -3.208532      2.709533
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  H     -10.710818     -0.587052      6.563469
  H     -11.516495     -1.207779      8.021332
  H     -10.111367     -3.273935      7.954454
  H     -10.988526     -3.097362      6.430400
  H      -8.065040     -2.292203      6.920135
  H      -8.960763     -2.003485      5.406591
  H      -9.291965     -5.268403      7.243758
  H      -7.707475     -4.541416      7.632957
  H      -6.517018     -6.132244      6.366944
  H      -7.913887     -7.119856      6.810469
  H      -7.628306     -7.346518      4.393245
  H      -9.021833     -6.315103      4.644607
  H      -7.757661     -5.860525      1.953292
  H     -10.025196     -6.049710      2.658020
  H      -9.852606     -4.670294      3.767347
  H     -10.215505     -4.512864      0.724286
  H     -11.206560     -3.744515      1.979545
  H      -9.268693     -2.329295      2.670149
  H      -9.257126     -2.231252      0.891854
  H      -5.862292     -4.568351      1.592963
  H      -7.682148     -4.021573      0.692786
  H      -6.464202     -3.831083      5.412518
  H      -7.519296     -3.057728      4.209609
  H      -3.821320    -10.469909      8.935085
  H      -2.260228    -10.379376      9.779106
  H      -2.312106    -10.398582      8.003018
  H      -3.391809     -8.133756      9.800491
  H      -1.892276     -8.059466      8.867893
  H      -3.182277     -8.377614      6.741103
  H      -4.694065     -8.436991      7.660865
  H      -4.462451     -6.192390      9.509745
  H      -5.743830     -6.316167      8.279265
  H      -4.005983     -3.968352      9.053600
  H      -5.674414     -3.974051      8.502546
  H      -4.930798     -4.417783      6.164583
  H      -4.255634     -2.901649      6.807399
  H      -1.871565     -2.681309      6.022773
  H      -1.942861     -3.472455      8.980879
  H      -2.680834     -2.044426      8.242852
  H      -0.558595     -0.924384      8.211591
  H      -0.064205     -2.171238      9.355298
  H       1.478116     -2.833280      7.643716
  H       0.572996     -1.930920      6.419942
  H      -0.114090     -4.708652      7.509482
  H       0.079500     -4.231893      5.812108
  H      -2.164904     -5.514524      8.327678
  H      -1.848703     -6.459976      6.883107
  N      -4.883792     -2.287014      4.254182
  H      -5.723847     -2.110212      3.660818
  H      -4.244951     -1.497498      4.127226
  H      -5.187822     -2.273759      5.229924
  N      -5.615501     -3.676018      2.062345
  N      -6.664037     -2.884978      2.104559
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.957847012899
  N      -2.708574     -3.600364      2.047078
  C      -2.754594     -4.537843      0.934449
  C      -2.424058     -5.917075      1.469489
  N      -3.272720     -6.211733      2.664513
  C      -4.447909     -7.029790      2.308711
  C      -5.516764     -6.935132      3.388354
  N      -5.777208     -5.547687      3.770375
  Mo     -4.106328     -4.277128      3.464356
  N      -2.846313     -4.787387      5.005164
  C      -1.789608     -5.653772      4.479507
  C      -2.452534     -6.812881      3.751376
  H      -1.107701     -6.044329      5.247994
  H      -1.163842     -5.093486      3.757145
  H      -3.119319     -7.336531      4.449335
  H      -1.732697     -7.535347      3.326437
  H      -6.407124     -7.428897      2.963456
  H      -5.218792     -7.553836      4.263408
  H      -4.844715     -6.621765      1.365572
  H      -4.149568     -8.081113      2.125039
  H      -2.046902     -4.282669      0.132864
  H      -3.754106     -4.557914      0.439814
  H      -1.374105     -5.928613      1.790635
  H      -2.559207     -6.710164      0.714145
  C       1.238848     -1.205458     -2.999834
  C       0.179593     -0.997016     -1.919594
  C      -0.696467     -2.250053     -1.744849
  N      -1.758192     -2.202819     -0.746420
  C      -2.832745     -1.270750     -1.052682
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  C      -1.655190     -1.696068      3.070665
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  C      -0.298750     -2.383536      3.402099
  C      -1.252574     -2.087665      0.619312
  C     -10.613142     -1.274766      7.424899
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  C      -7.546825     -6.232099      6.281154
  C      -7.890621     -6.398523      4.804571
  C      -7.246075     -5.246780      3.966502
  C      -8.054183     -5.067515      2.615344
  C      -9.601523     -5.122212      2.791980
  C     -10.202345     -4.147889      1.775166
  C      -9.206520     -2.990435      1.794504
  C      -7.859771     -3.719688      1.758530
  C      -7.392995     -3.975169      4.843901
  C      -3.052924     -9.957085      8.925148
  C      -3.069022     -8.430787      8.889467
  C      -3.832917     -7.904927      7.662165
  N      -3.908397     -6.463238      7.486365
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  C      -4.164538     -3.899953      6.864964
  C      -2.796132     -4.500709      6.462914
  C      -1.659265     -3.477885      6.764534
  C      -1.682656     -2.758384      8.131039
  C      -0.297789     -2.076879      8.258022
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  C      -0.201890     -3.977595      6.722220
  C      -2.627345     -5.790997      7.312977
  H       1.866939     -0.312759     -3.131795
  H       0.773548     -1.434089     -3.971502
  H       1.902648     -2.046798     -2.746118
  H      -0.455199     -0.135395     -2.181366
  H       0.668693     -0.748316     -0.964033
  H      -1.166351     -2.487961     -2.715776
  H      -0.042106     -3.104470     -1.491975
  H      -2.502688     -0.205713     -0.994403
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  H      -3.208077     -0.229606      1.473968
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  H      -2.202736      0.369190      3.668858
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  H       1.139325     -1.030059      2.465035
  H       1.609229     -1.519909      4.105827
  H      -0.378416     -2.864575      4.384862
  H      -0.046293     -3.183776      2.696039
  H      -0.492358     -2.874771      0.748392
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  H     -10.988335     -3.173248      6.439701
  H      -8.081584     -2.295148      6.900251
  H      -8.989128     -2.051143      5.387197
  H      -9.238991     -5.295665      7.280292
  H      -7.666242     -4.533474      7.646811
  H      -6.457593     -6.113924      6.385411
  H      -7.827575     -7.124338      6.860009
  H      -7.572085     -7.382207      4.443598
  H      -8.980702     -6.370073      4.695366
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  H     -10.001634     -6.141156      2.692410
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  H     -10.232053     -4.591910      0.765446
  H     -11.229409     -3.850029      2.032517
  H      -9.304470     -2.419073      2.733142
  H      -9.316331     -2.288522      0.955876
  H      -5.889669     -4.623399      1.595252
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  H      -6.455741     -3.844805      5.412596
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  H      -4.075954    -10.362111      8.971712
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  H      -2.576601    -10.368461      8.021377
  H      -3.528607     -8.041588      9.812041
  H      -2.036246     -8.045605      8.865028
  H      -3.367862     -8.328177      6.752910
  H      -4.868165     -8.289336      7.694608
  H      -4.451943     -6.033548      9.515244
  H      -5.775786     -6.125946      8.324553
  H      -3.950203     -3.829109      9.022322
  H      -5.614640     -3.790007      8.460792
  H      -4.892781     -4.294787      6.146217
  H      -4.132701     -2.805012      6.754677
  H      -1.763783     -2.702952      5.983602
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  H      -0.363381     -0.991940      8.090895
  H       0.110541     -2.214095      9.269395
  H       1.596588     -3.007614      7.563594
  H       0.738585     -2.070485      6.333584
  H      -0.074338     -4.811166      7.433620
  H       0.116848     -4.335307      5.734459
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  N      -4.907742     -2.298285      4.216902
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  H      -4.275081     -1.501816      4.104966
  H      -5.227836     -2.290882      5.187073
  N      -5.636468     -3.723672      2.040893
  N      -6.682628     -2.928879      2.083485
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.958516269304
  N      -2.685026     -3.599395      2.042001
  C      -2.705107     -4.541851      0.932780
  C      -2.379334     -5.917122      1.480824
  N      -3.256354     -6.208582      2.652988
  C      -4.428813     -7.018779      2.268335
  C      -5.511102     -6.929410      3.330765
  N      -5.771365     -5.546910      3.726979
  Mo     -4.098251     -4.275521      3.442713
  N      -2.854984     -4.781816      4.999968
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  C      -2.470031     -6.819033      3.757386
  H      -1.158268     -6.080292      5.293635
  H      -1.138687     -5.130488      3.803066
  H      -3.160750     -7.334328      4.438784
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  H      -6.398391     -7.415411      2.886773
  H      -5.230928     -7.558141      4.204372
  H      -4.808775     -6.598940      1.323583
  H      -4.133522     -8.069513      2.079987
  H      -1.983638     -4.288793      0.143157
  H      -3.694923     -4.571233      0.419500
  H      -1.337983     -5.920290      1.829077
  H      -2.491675     -6.715708      0.727348
  C       1.215842     -1.214739     -3.037856
  C       0.168074     -1.002756     -1.946914
  C      -0.704629     -2.255774     -1.757119
  N      -1.757032     -2.204914     -0.749786
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  C      -3.977662     -1.485885     -0.067568
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  C      -0.030016     -0.052494      3.968315
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  C      -0.240085     -2.358492      3.358192
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  C     -10.629173     -1.455206      7.562653
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  C      -7.875730     -6.442289      4.726246
  C      -7.240722     -5.254745      3.932872
  C      -8.051053     -5.037409      2.591188
  C      -9.595754     -5.075030      2.778372
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  C      -9.175517     -2.935625      1.809492
  C      -7.841835     -3.676641      1.753412
  C      -7.397278     -4.018738      4.862915
  C      -3.218894     -9.874105      9.013695
  C      -3.183693     -8.348752      8.944390
  C      -3.941566     -7.823062      7.713667
  N      -3.971618     -6.383045      7.511513
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  C      -4.622196     -4.141870      8.269829
  C      -4.153778     -3.830862      6.850793
  C      -2.803964     -4.474430      6.454823
  C      -1.639640     -3.479241      6.752098
  C      -1.656047     -2.745115      8.110192
  C      -0.260642     -2.086509      8.233503
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  H       1.842110     -0.322488     -3.180393
  H       0.740314     -1.447460     -4.003596
  H       1.882610     -2.054856     -2.787934
  H      -0.470721     -0.143019     -2.205413
  H       0.667249     -0.748661     -0.998134
  H      -1.183515     -2.499738     -2.722316
  H      -0.046622     -3.108059     -1.506573
  H      -2.508125     -0.211328     -1.001471
  H      -3.164979     -1.463301     -2.086866
  H      -4.792184     -0.776879     -0.283514
  H      -4.389510     -2.498981     -0.180410
  H      -3.178831     -0.228063      1.471835
  H      -4.316970     -1.455712      2.052331
  H      -2.299043     -2.009390      3.864403
  H      -1.229723      0.289832      2.204868
  H      -2.185547      0.357889      3.687404
  H       0.455113      0.927325      3.847903
  H      -0.196912     -0.210486      5.048493
  H       1.152070     -0.973230      2.402289
  H       1.669370     -1.468026      4.027180
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  H      -0.723307     -1.108171      0.753143
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  H     -10.788181     -0.800562      6.691939
  H     -11.563766     -1.477767      8.140675
  H     -10.098582     -3.500551      8.013778
  H     -10.994422     -3.314815      6.501527
  H      -8.093761     -2.428899      6.984075
  H      -9.012235     -2.133994      5.488173
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  H      -7.659378     -4.689580      7.644237
  H      -6.433775     -6.209932      6.310931
  H      -7.793563     -7.250640      6.748900
  H      -7.556898     -7.407918      4.321569
  H      -8.968007     -6.413246      4.624398
  H      -7.763949     -5.874374      1.933074
  H     -10.008929     -6.088135      2.668871
  H      -9.829315     -4.724235      3.795038
  H     -10.227823     -4.509284      0.763117
  H     -11.208823     -3.765247      2.043183
  H      -9.256715     -2.381296      2.760339
  H      -9.279930     -2.213428      0.987418
  H      -5.882481     -4.605079      1.569970
  H      -7.730408     -4.016043      0.697602
  H      -6.460778     -3.910028      5.438297
  H      -7.526447     -3.110372      4.263476
  H      -4.254122    -10.243496      9.082724
  H      -2.669574    -10.256077      9.886090
  H      -2.769195    -10.321098      8.113284
  H      -3.619993     -7.924373      9.862907
  H      -2.138578     -8.000588      8.903563
  H      -3.498575     -8.279395      6.809328
  H      -4.988576     -8.172656      7.761343
  H      -4.474651     -5.900475      9.540541
  H      -5.817118     -5.974893      8.367075
  H      -3.924816     -3.716561      9.003592
  H      -5.591105     -3.648553      8.447946
  H      -4.898052     -4.224586      6.148428
  H      -4.094441     -2.740629      6.712619
  H      -1.726240     -2.707941      5.965515
  H      -1.786272     -3.477306      8.922445
  H      -2.476090     -2.019274      8.192540
  H      -0.306878     -1.006005      8.034977
  H       0.137038     -2.201831      9.251654
  H       1.615889     -3.085355      7.585624
  H       0.810338     -2.135796      6.330235
  H      -0.092169     -4.845682      7.432603
  H       0.124030     -4.377951      5.733692
  H      -2.177232     -5.507619      8.277721
  H      -2.010464     -6.489997      6.827867
  N      -4.889224     -2.290451      4.195532
  H      -5.710795     -2.107392      3.577583
  H      -4.245862     -1.500408      4.102419
  H      -5.218905     -2.289469      5.162032
  N      -5.615310     -3.712968      2.019960
  N      -6.649714     -2.906238      2.079495
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.958740112126
  N      -2.723158     -3.586226      2.027776
  C      -2.715439     -4.533766      0.924268
  C      -2.377569     -5.900349      1.485022
  N      -3.268346     -6.195228      2.643309
  C      -4.432111     -7.009191      2.239095
  C      -5.527032     -6.935646      3.285982
  N      -5.791723     -5.560125      3.701623
  Mo     -4.129724     -4.272979      3.429558
  N      -2.878828     -4.760875      4.993342
  C      -1.832929     -5.665333      4.508335
  C      -2.494654     -6.805850      3.753630
  H      -1.210268     -6.083050      5.312941
  H      -1.142557     -5.132327      3.826750
  H      -3.191809     -7.324104      4.425886
  H      -1.771465     -7.538067      3.349767
  H      -6.407571     -7.413446      2.819042
  H      -5.262937     -7.580241      4.153719
  H      -4.802550     -6.583322      1.293309
  H      -4.129701     -8.057044      2.046664
  H      -1.987569     -4.275397      0.141877
  H      -3.698520     -4.582786      0.399268
  H      -1.341925     -5.884491      1.849301
  H      -2.467076     -6.706344      0.736193
  C       1.300540     -1.262726     -2.973340
  C       0.224324     -1.037505     -1.913176
  C      -0.647059     -2.291388     -1.723949
  N      -1.725581     -2.227987     -0.745925
  C      -2.801921     -1.314573     -1.093192
  C      -3.966287     -1.512884     -0.135333
  C      -3.510989     -1.279316      1.303308
  C      -2.327634     -2.185337      1.731119
  C      -1.685293     -1.655620      3.057832
  C      -1.409191     -0.133093      3.158824
  C      -0.111281     -0.007782      3.971875
  C       0.712690     -1.201505      3.478635
  C      -0.327183     -2.329248      3.417208
  C      -1.246598     -2.072890      0.623228
  C     -10.516574     -1.392743      7.592724
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  N      -8.499772     -4.108096      5.775455
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  C      -7.260316     -5.271789      3.917243
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  C      -9.213899     -2.969208      1.826734
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  C      -7.396598     -4.013081      4.820679
  C      -3.197817     -9.910136      8.942457
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  C      -3.934788     -7.834776      7.688817
  N      -3.964170     -6.390317      7.510415
  C      -4.731854     -5.678911      8.528334
  C      -4.592155     -4.161602      8.315635
  C      -4.159794     -3.833600      6.888927
  C      -2.818008     -4.467804      6.455762
  C      -1.657403     -3.468739      6.763220
  C      -1.665562     -2.777635      8.143398
  C      -0.282925     -2.094598      8.262803
  C       0.610605     -2.775298      7.194574
  C      -0.204324     -3.974866      6.689293
  C      -2.667379     -5.767810      7.291507
  H       1.926745     -0.370334     -3.114863
  H       0.850964     -1.513613     -3.946906
  H       1.963846     -2.095692     -2.692246
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  H       0.697941     -0.764136     -0.956701
  H      -1.099093     -2.555341     -2.696926
  H       0.008472     -3.135559     -1.441351
  H      -2.481965     -0.245143     -1.055085
  H      -3.102523     -1.522381     -2.133208
  H      -4.779690     -0.814359     -0.386170
  H      -4.367620     -2.530427     -0.241438
  H      -3.204546     -0.223781      1.398420
  H      -4.359753     -1.433725      1.974293
  H      -2.398536     -1.938176      3.845727
  H      -1.242697      0.297411      2.157751
  H      -2.250891      0.418533      3.602053
  H       0.388684      0.962999      3.840590
  H      -0.317467     -0.132545      5.049591
  H       1.109919     -0.985659      2.472552
  H       1.569109     -1.439900      4.126382
  H      -0.413200     -2.797978      4.404686
  H      -0.060886     -3.134461      2.721922
  H      -0.472278     -2.839643      0.782182
  H      -0.746164     -1.089933      0.762756
  H      -9.720231     -0.919322      8.187537
  H     -10.703077     -0.751018      6.717868
  H     -11.429735     -1.399714      8.204374
  H      -9.980907     -3.433713      8.057119
  H     -10.930152     -3.266826      6.575233
  H      -8.009794     -2.386498      6.935455
  H      -8.983860     -2.113046      5.471654
  H      -9.138304     -5.397653      7.299207
  H      -7.563101     -4.638546      7.617865
  H      -6.400499     -6.211548      6.269971
  H      -7.765388     -7.219625      6.767049
  H      -7.612687     -7.413902      4.336263
  H      -8.990990     -6.384342      4.669898
  H      -7.786767     -5.899513      1.920477
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  H      -9.854405     -4.786355      3.800852
  H     -10.266467     -4.539540      0.774134
  H     -11.242012     -3.806410      2.065816
  H      -9.290346     -2.425443      2.784592
  H      -9.325950     -2.236421      1.014991
  H      -5.910622     -4.604250      1.554349
  H      -7.762932     -4.026548      0.697424
  H      -6.441306     -3.886483      5.360864
  H      -7.546362     -3.121090      4.202357
  H      -4.234765    -10.267007      9.043080
  H      -2.624482    -10.308827      9.791578
  H      -2.784843    -10.353260      8.022705
  H      -3.544181     -7.964911      9.825082
  H      -2.096092     -8.050757      8.818230
  H      -3.522309     -8.279750      6.764727
  H      -4.981965     -8.179681      7.760935
  H      -4.406574     -5.933581      9.560289
  H      -5.783752     -5.993958      8.432501
  H      -3.877749     -3.743247      9.036826
  H      -5.557628     -3.673173      8.522763
  H      -4.919466     -4.224414      6.201817
  H      -4.107702     -2.742299      6.758752
  H      -1.771134     -2.673805      6.003950
  H      -1.772294     -3.537181      8.934371
  H      -2.495376     -2.067928      8.260567
  H      -0.355455     -1.012979      8.079241
  H       0.129493     -2.215067      9.274454
  H       1.598437     -3.062155      7.582485
  H       0.784243     -2.080474      6.358221
  H      -0.081059     -4.834658      7.369684
  H       0.106036     -4.297562      5.688393
  H      -2.152103     -5.530001      8.248003
  H      -2.021662     -6.491628      6.779208
  N      -4.934551     -2.296235      4.194265
  H      -5.765227     -2.120602      3.585979
  H      -4.299866     -1.499351      4.101012
  H      -5.250418     -2.305479      5.165204
  N      -5.648866     -3.715343      2.013831
  N      -6.692475     -2.921987      2.092219
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.957429077875
  N      -2.681697     -3.591001      2.049285
  C      -2.666919     -4.523742      0.935797
  C      -2.304971     -5.889176      1.485476
  N      -3.188548     -6.211263      2.643109
  C      -4.333522     -7.048529      2.232506
  C      -5.441272     -6.999563      3.269941
  N      -5.726333     -5.627966      3.687647
  Mo     -4.085836     -4.312306      3.434958
  N      -2.851594     -4.798445      5.012261
  C      -1.776117     -5.666582      4.527779
  C      -2.404282     -6.813078      3.751275
  H      -1.149942     -6.079936      5.328978
  H      -1.093760     -5.108418      3.859554
  H      -3.090508     -7.357973      4.411884
  H      -1.659508     -7.521881      3.342858
  H      -6.309255     -7.482001      2.787114
  H      -5.181743     -7.649766      4.136563
  H      -4.705422     -6.631301      1.283137
  H      -4.007836     -8.090809      2.042916
  H      -1.947229     -4.244569      0.152183
  H      -3.653434     -4.584210      0.417253
  H      -1.269447     -5.853715      1.848068
  H      -2.379515     -6.690450      0.730054
  C       1.038739     -1.051440     -3.091924
  C       0.024906     -0.877199     -1.963443
  C      -0.825870     -2.144943     -1.773110
  N      -1.845909     -2.126748     -0.732131
  C      -2.944309     -1.208788     -0.982589
  C      -4.049618     -1.452928      0.032726
  C      -3.513436     -1.269138      1.449753
  C      -2.305865     -2.181205      1.778112
  C      -1.593484     -1.700580      3.086317
  C      -1.348549     -0.178624      3.246949
  C      -0.013744     -0.061808      3.997442
  C       0.811722     -1.203022      3.393424
  C      -0.197896     -2.356371      3.327917
  C      -1.290358     -2.019590      0.612638
  C     -10.407210     -1.396837      7.524001
  C     -10.025069     -2.817784      7.112474
  C      -8.760126     -2.837590      6.256867
  N      -8.424628     -4.153133      5.731102
  C      -8.113568     -5.114933      6.790638
  C      -7.422629     -6.355497      6.200470
  C      -7.830642     -6.505397      4.736809
  C      -7.195806     -5.356646      3.890901
  C      -8.009538     -5.181792      2.551017
  C      -9.551186     -5.258880      2.739540
  C     -10.162283     -4.270688      1.737057
  C      -9.173113     -3.108603      1.772417
  C      -7.826134     -3.816651      1.721345
  C      -7.331545     -4.079391      4.762578
  C      -3.660695     -9.804643      9.073562
  C      -3.467790     -8.292267      8.982696
  C      -4.190427     -7.702601      7.759564
  N      -4.101179     -6.261992      7.552912
  C      -4.834044     -5.469654      8.535204
  C      -4.585305     -3.973813      8.277979
  C      -4.102415     -3.735198      6.847718
  C      -2.793208     -4.465112      6.466259
  C      -1.579742     -3.526456      6.767460
  C      -1.570211     -2.789449      8.124630
  C      -0.152300     -2.187182      8.249108
  C       0.722084     -2.960467      7.229386
  C      -0.158344     -4.119358      6.741151
  C      -2.755690     -5.746669      7.348145
  H       1.649813     -0.148655     -3.233813
  H       0.535078     -1.268047     -4.047021
  H       1.722676     -1.888896     -2.882594
  H      -0.632900     -0.020345     -2.181828
  H       0.551475     -0.636736     -1.025884
  H      -1.330719     -2.375671     -2.728382
  H      -0.149419     -2.993310     -1.560582
  H      -2.628749     -0.139184     -0.920426
  H      -3.302698     -1.379006     -2.011035
  H      -4.879360     -0.750999     -0.144394
  H      -4.452442     -2.468287     -0.088476
  H      -3.204284     -0.214436      1.564739
  H      -4.324814     -1.448645      2.159558
  H      -2.248782     -2.036483      3.903020
  H      -1.246893      0.305709      2.262466
  H      -2.177255      0.328262      3.763552
  H       0.453002      0.928968      3.894681
  H      -0.161013     -0.252603      5.076764
  H       1.145672     -0.923335      2.379890
  H       1.709751     -1.450343      3.978656
  H      -0.207397     -2.880615      4.289392
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  H      -0.504263     -2.785266      0.698293
  H      -0.787555     -1.039860      0.758882
  H      -9.601824     -0.921004      8.104521
  H     -10.596923     -0.766398      6.641737
  H     -11.314589     -1.387877      8.144101
  H      -9.882296     -3.434304      8.013880
  H     -10.842777     -3.282272      6.537533
  H      -7.912340     -2.415949      6.854332
  H      -8.904107     -2.162296      5.397272
  H      -9.052820     -5.401374      7.288711
  H      -7.473284     -4.641324      7.569959
  H      -6.325031     -6.262416      6.267377
  H      -7.703272     -7.247359      6.780985
  H      -7.551058     -7.490462      4.349648
  H      -8.922862     -6.451840      4.671742
  H      -7.699766     -6.014215      1.895902
  H      -9.938014     -6.280305      2.624446
  H      -9.802032     -4.921927      3.757830
  H     -10.190654     -4.708195      0.725230
  H     -11.189480     -3.980477      2.002672
  H      -9.278649     -2.555561      2.722663
  H      -9.290623     -2.385199      0.953068
  H      -5.823745     -4.663930      1.529993
  H      -7.691762     -4.142571      0.662656
  H      -6.369237     -3.933803      5.285167
  H      -7.491367     -3.204624      4.121209
  H      -4.726881    -10.063235      9.166629
  H      -3.137601    -10.231023      9.941295
  H      -3.277013    -10.307718      8.171821
  H      -3.838298     -7.814676      9.903353
  H      -2.392509     -8.057389      8.919965
  H      -3.799426     -8.197477      6.852366
  H      -5.262954     -7.962514      7.815591
  H      -4.543600     -5.713974      9.579258
  H      -5.902478     -5.715536      8.427833
  H      -3.857556     -3.582790      9.000747
  H      -5.516987     -3.412339      8.446123
  H      -4.872808     -4.116286      6.164919
  H      -3.990619     -2.654737      6.670038
  H      -1.631587     -2.753341      5.977297
  H      -1.743687     -3.510286      8.940153
  H      -2.353294     -2.022987      8.197787
  H      -0.159124     -1.111928      8.019485
  H       0.232477     -2.288250      9.274044
  H       1.676428     -3.300101      7.654981
  H       0.963388     -2.307368      6.374066
  H      -0.100061     -4.965764      7.446887
  H       0.153218     -4.487245      5.759538
  H      -2.240847     -5.515832      8.307765
  H      -2.158957     -6.534197      6.876770
  N      -4.930298     -2.353998      4.198145
  H      -5.776673     -2.207789      3.602480
  H      -4.316714     -1.543202      4.084747
  H      -5.226547     -2.361756      5.176045
  N      -5.595964     -3.770677      2.004162
  N      -6.668121     -3.006378      2.073701
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.958855703620
  N      -2.697900     -3.593156      2.053486
  C      -2.712686     -4.538067      0.949552
  C      -2.371176     -5.905403      1.506431
  N      -3.241841     -6.195050      2.683912
  C      -4.402495     -7.025172      2.305105
  C      -5.500307     -6.938040      3.351381
  N      -5.766122     -5.554682      3.738074
  Mo     -4.102108     -4.268437      3.461651
  N      -2.852066     -4.754941      5.031016
  C      -1.790108     -5.627027      4.524600
  C      -2.434964     -6.785775      3.783602
  H      -1.136329     -6.026605      5.310277
  H      -1.133220     -5.073347      3.825723
  H      -3.105368     -7.319676      4.469340
  H      -1.699714     -7.500690      3.370275
  H      -6.379773     -7.422600      2.892515
  H      -5.238387     -7.569195      4.230720
  H      -4.777789     -6.624415      1.349947
  H      -4.091460     -8.075437      2.135111
  H      -1.997064     -4.280657      0.155937
  H      -3.705131     -4.582213      0.440825
  H      -1.328759     -5.891520      1.850576
  H      -2.477516     -6.711696      0.760226
  C       1.149108     -1.170279     -3.061333
  C       0.111846     -0.971870     -1.958436
  C      -0.751616     -2.231090     -1.767702
  N      -1.794553     -2.190147     -0.749991
  C      -2.883639     -1.270882     -1.039125
  C      -4.011778     -1.492372     -0.043228
  C      -3.505619     -1.282064      1.381090
  C      -2.307124     -2.193282      1.753008
  C      -1.629291     -1.680265      3.064786
  C      -1.378870     -0.155234      3.188496
  C      -0.068708     -0.024698      3.975067
  C       0.766465     -1.189797      3.432181
  C      -0.249683     -2.338314      3.369291
  C      -1.267187     -2.065294      0.605591
  C     -10.633572     -1.399203      7.465515
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  N      -8.549384     -4.113027      5.724440
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  C      -7.875139     -6.445631      4.721817
  C      -7.238463     -5.271793      3.915080
  C      -8.039957     -5.080196      2.566416
  C      -9.585769     -5.127005      2.744844
  C     -10.177188     -4.143691      1.728060
  C      -9.171537     -2.995609      1.756234
  C      -7.832020     -3.727426      1.723055
  C      -7.407193     -4.020455      4.817045
  C      -3.316036     -9.908753      9.000114
  C      -3.213865     -8.386266      8.942804
  C      -3.983342     -7.814352      7.740496
  N      -3.976863     -6.368710      7.561948
  C      -4.734583     -5.635551      8.570417
  C      -4.563831     -4.121049      8.352006
  C      -4.103494     -3.798507      6.927284
  C      -2.777645     -4.470784      6.497664
  C      -1.581633     -3.505747      6.784262
  C      -1.538681     -2.799627      8.157639
  C      -0.132502     -2.163595      8.243243
  C       0.724387     -2.902542      7.183356
  C      -0.149983     -4.069587      6.703907
  C      -2.666532     -5.771994      7.349224
  H       1.769192     -0.273613     -3.203632
  H       0.665007     -1.398531     -4.023820
  H       1.822831     -2.008613     -2.824210
  H      -0.534731     -0.114121     -2.204421
  H       0.619380     -0.720868     -1.013069
  H      -1.236976     -2.473234     -2.730029
  H      -0.086059     -3.080691     -1.527121
  H      -2.563804     -0.202106     -0.989379
  H      -3.221697     -1.456988     -2.071730
  H      -4.835961     -0.791910     -0.251120
  H      -4.414536     -2.510311     -0.151689
  H      -3.199149     -0.226027      1.482536
  H      -4.333285     -1.450607      2.076238
  H      -2.312550     -1.989093      3.870510
  H      -1.243711      0.297690      2.193317
  H      -2.219452      0.372228      3.663398
  H       0.409304      0.959188      3.857533
  H      -0.253945     -0.179123      5.052691
  H       1.134836     -0.942187      2.422224
  H       1.643462     -1.425587      4.053493
  H      -0.296761     -2.834140      4.345884
  H       0.012854     -3.119612      2.645574
  H      -0.491984     -2.838816      0.721576
  H      -0.755526     -1.089704      0.745410
  H      -9.861144     -0.929706      8.093999
  H     -10.783066     -0.754041      6.586152
  H     -11.570908     -1.406432      8.039460
  H     -10.122066     -3.442226      7.945550
  H     -11.008377     -3.269204      6.426306
  H      -8.101589     -2.397128      6.906000
  H      -9.018261     -2.118912      5.404692
  H      -9.241269     -5.407404      7.218628
  H      -7.689280     -4.629778      7.602116
  H      -6.447317     -6.189199      6.309149
  H      -7.817683     -7.214670      6.756677
  H      -7.548138     -7.418117      4.335001
  H      -8.963668     -6.422753      4.607885
  H      -7.741467     -5.921297      1.916739
  H      -9.990599     -6.142894      2.641025
  H      -9.836007     -4.769975      3.756342
  H     -10.205070     -4.592143      0.720704
  H     -11.202000     -3.836483      1.982678
  H      -9.276672     -2.429149      2.697971
  H      -9.273155     -2.283126      0.925165
  H      -5.838843     -4.601938      1.552963
  H      -7.697918     -4.067219      0.670242
  H      -6.473096     -3.901584      5.392716
  H      -7.528461     -3.124706      4.196074
  H      -4.364251    -10.231976      9.095968
  H      -2.759894    -10.322940      9.853137
  H      -2.912187    -10.367289      8.083621
  H      -3.602952     -7.952382      9.877604
  H      -2.155156     -8.085729      8.874943
  H      -3.578924     -8.267808      6.817137
  H      -5.038931     -8.133025      7.806291
  H      -4.415509     -5.891586      9.604089
  H      -5.790412     -5.931959      8.483494
  H      -3.854181     -3.716650      9.084011
  H      -5.522346     -3.613516      8.543787
  H      -4.869213     -4.165772      6.232669
  H      -4.020928     -2.707816      6.801020
  H      -1.672736     -2.717779      6.013512
  H      -1.654885     -3.542435      8.962350
  H      -2.340216     -2.059247      8.280790
  H      -0.172209     -1.085213      8.031524
  H       0.288047     -2.270973      9.253396
  H       1.696871     -3.232577      7.574296
  H       0.931620     -2.233377      6.333364
  H      -0.052536     -4.927436      7.391442
  H       0.136583     -4.414335      5.704899
  H      -2.156191     -5.539042      8.310380
  H      -2.032974     -6.515904      6.855347
  N      -4.898979     -2.281948      4.202557
  H      -5.746659     -2.127428      3.609986
  H      -4.270366     -1.485262      4.071609
  H      -5.190325     -2.268677      5.181678
  N      -5.603341     -3.708126      2.019214
  N      -6.666594     -2.927011      2.070037
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.957147364158
  N      -2.738531     -3.581177      1.970055
  C      -2.738735     -4.534751      0.872454
  C      -2.406464     -5.901272      1.435507
  N      -3.293675     -6.189175      2.600400
  C      -4.465800     -6.990327      2.200587
  C      -5.550008     -6.915227      3.261238
  N      -5.791957     -5.537396      3.684579
  Mo     -4.122506     -4.259802      3.399623
  N      -2.865016     -4.765564      4.952131
  C      -1.837042     -5.684601      4.457243
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  H      -1.368637     -5.889782      1.793311
  H      -2.504097     -6.708325      0.688867
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  C      -8.098656     -5.016123      2.615377
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  C      -7.892092     -3.654405      1.782364
  C      -7.382863     -4.045333      4.897623
  C      -3.357572     -9.861509      8.957360
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  N      -4.004010     -6.336141      7.482575
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  H       2.134189     -0.432032     -3.005774
  H       1.101963     -1.589156     -3.873664
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  H      -0.245016     -0.244075     -2.207621
  H       0.806378     -0.803756     -0.903464
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  H      -2.933507     -1.590597     -2.249022
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  H      -9.883843     -3.636447      8.222077
  H     -10.875657     -3.409899      6.776573
  H      -7.951461     -2.526169      7.097606
  H      -8.966415     -2.192732      5.672773
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  H      -7.570516     -7.418723      4.263852
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  H      -2.196394     -8.038472      8.829159
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  H      -4.260685     -1.489246      4.083395
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  N      -5.660744     -3.676871      2.008265
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.959222541199
  N      -2.714332     -3.597137      2.031252
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  C      -2.354548     -5.913241      1.506738
  N      -3.254126     -6.204053      2.661405
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  H      -1.211996     -6.080211      5.339556
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  H      -1.321634     -5.889113      1.878088
  H      -2.434484     -6.724496      0.762645
  C       1.277676     -1.215689     -2.985109
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  C      -7.865665     -3.742724      1.735228
  C      -7.371616     -4.023588      4.818124
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  C      -1.644254     -3.483472      6.778647
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  H       1.899844     -0.318954     -3.117174
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  H     -10.264716     -4.593228      0.779245
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  H      -7.746013     -4.087871      0.682272
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  H      -2.908244    -10.373445      8.003675
  H      -3.607073     -7.977961      9.821332
  H      -2.160880     -8.094973      8.814494
  H      -3.589507     -8.265831      6.757624
  H      -5.047471     -8.145964      7.752966
  H      -4.403543     -5.909205      9.574753
  H      -5.798526     -5.963026      8.474954
  H      -3.881198     -3.723842      9.049943
  H      -5.557310     -3.642447      8.525844
  H      -4.916154     -4.201878      6.211012
  H      -4.089066     -2.726472      6.767373
  H      -1.756999     -2.681129      6.026787
  H      -1.726294     -3.572562      8.952890
  H      -2.455083     -2.094889      8.304138
  H      -0.316046     -1.051452      8.072219
  H       0.169514     -2.234998      9.285843
  H       1.615875     -3.149180      7.611641
  H       0.852315     -2.137723      6.381306
  H      -0.080044     -4.881116      7.349921
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  H      -4.311236     -1.505370      4.083478
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.958573640140
  N      -2.693945     -3.568300      2.058982
  C      -2.696546     -4.503917      0.947783
  C      -2.341103     -5.870002      1.497514
  N      -3.217057     -6.178357      2.664984
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  C      -5.472098     -6.947390      3.308356
  N      -5.745751     -5.571981      3.718152
  Mo     -4.089219     -4.269118      3.463523
  N      -2.838403     -4.765300      5.032309
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  C      -2.420084     -6.780725      3.763037
  H      -1.128920     -6.048919      5.307565
  H      -1.108168     -5.074777      3.837229
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  H      -4.052932     -8.053189      2.077106
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  H      -1.301762     -5.843457      1.849898
  H      -2.431475     -6.673574      0.746163
  C       1.075399     -1.144770     -3.096100
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  C      -0.801569     -2.205375     -1.767540
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  C      -4.035591     -1.465103      0.002473
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  C      -1.602883     -1.666448      3.081027
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  H       1.694169     -0.248915     -3.248422
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  H      -4.439780     -2.482388     -0.100693
  H      -3.199433     -0.199340      1.515059
  H      -4.322953     -1.421710      2.128402
  H      -2.297610     -1.936901      3.889436
  H      -1.132078      0.282896      2.186933
  H      -2.104030      0.416672      3.655467
  H       0.549325      0.893558      3.839428
  H      -0.158974     -0.196009      5.053027
  H       1.192067     -1.055079      2.434107
  H       1.679320     -1.538518      4.071533
  H      -0.320272     -2.857583      4.379722
  H      -0.021153     -3.179006      2.684702
  H      -0.499871     -2.800460      0.717549
  H      -0.773918     -1.051725      0.744013
  H      -9.883968     -1.004667      8.096063
  H     -10.812414     -0.828919      6.592214
  H     -11.590545     -1.493104      8.045594
  H     -10.127353     -3.518255      7.937557
  H     -11.020100     -3.344691      6.421733
  H      -8.118897     -2.453853      6.897709
  H      -9.041582     -2.174593      5.400224
  H      -9.247356     -5.478933      7.188451
  H      -7.708188     -4.687801      7.590802
  H      -6.440425     -6.232878      6.298258
  H      -7.808278     -7.269852      6.728286
  H      -7.533741     -7.456662      4.302094
  H      -8.950648     -6.465000      4.577758
  H      -7.709182     -5.941932      1.892321
  H      -9.960264     -6.194994      2.596291
  H      -9.817198     -4.854136      3.749424
  H     -10.197626     -4.600028      0.717968
  H     -11.189113     -3.875817      2.002473
  H      -9.261660     -2.473068      2.732836
  H      -9.270524     -2.295215      0.963026
  H      -5.825722     -4.587605      1.550544
  H      -7.672069     -4.062788      0.675660
  H      -6.481588     -3.919952      5.373700
  H      -7.553640     -3.165188      4.179901
  H      -4.549727    -10.129037      9.132845
  H      -2.956543    -10.271414      9.905807
  H      -3.094416    -10.323273      8.135305
  H      -3.716407     -7.871924      9.905641
  H      -2.263847     -8.063628      8.920710
  H      -3.672697     -8.209861      6.848200
  H      -5.136652     -8.014679      7.820696
  H      -4.424342     -5.779337      9.616101
  H      -5.804318     -5.792865      8.494255
  H      -3.792275     -3.630296      9.062413
  H      -5.460268     -3.479779      8.529160
  H      -4.833183     -4.107687      6.227635
  H      -3.950675     -2.657338      6.761043
  H      -1.597216     -2.741869      5.982985
  H      -1.621009     -3.508656      8.946405
  H      -2.283487     -2.029478      8.232703
  H      -0.103403     -1.093754      7.940570
  H       0.331017     -2.226226      9.221047
  H       1.733611     -3.301759      7.606854
  H       1.023141     -2.317718      6.320939
  H      -0.047566     -4.956945      7.430109
  H       0.174241     -4.491969      5.732895
  H      -2.160417     -5.514903      8.318104
  H      -2.070024     -6.517523      6.878375
  N      -4.902631     -2.299276      4.236735
  H      -5.758786     -2.147311      3.656824
  H      -4.284446     -1.494173      4.108565
  H      -5.180895     -2.302568      5.219335
  N      -5.596312     -3.700656      2.034717
  N      -6.668479     -2.942657      2.110198
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.959822707216
  N      -2.710359     -3.588070      2.021819
  C      -2.708782     -4.538039      0.921890
  C      -2.362285     -5.900793      1.486905
  N      -3.242944     -6.192025      2.656306
  C      -4.399512     -7.021313      2.264461
  C      -5.499219     -6.945034      3.309280
  N      -5.763883     -5.564549      3.707682
  Mo     -4.108093     -4.268914      3.432502
  N      -2.859018     -4.747704      5.006528
  C      -1.802337     -5.633380      4.511340
  C      -2.451271     -6.786164      3.763873
  H      -1.162758     -6.042299      5.304902
  H      -1.129601     -5.088812      3.820430
  H      -3.133706     -7.313428      4.443327
  H      -1.718202     -7.508428      3.359508
  H      -6.378800     -7.423740      2.843600
  H      -5.238610     -7.585197      4.181964
  H      -4.773055     -6.612602      1.312084
  H      -4.085327     -8.068857      2.085499
  H      -1.988267     -4.277968      0.133743
  H      -3.695910     -4.591292      0.403914
  H      -1.323432     -5.878337      1.841143
  H      -2.456090     -6.711129      0.743384
  C       1.248701     -1.191135     -3.014032
  C       0.185720     -0.988160     -1.936603
  C      -0.678616     -2.248516     -1.757013
  N      -1.745709     -2.203329     -0.764808
  C      -2.830568     -1.289817     -1.087194
  C      -3.981487     -1.506461     -0.116462
  C      -3.509701     -1.283807      1.318021
  C      -2.316709     -2.188255      1.723703
  C      -1.667846     -1.665979      3.046823
  C      -1.433713     -0.138382      3.171207
  C      -0.142815      0.006643      3.987234
  C       0.715844     -1.150103      3.464673
  C      -0.286915     -2.309259      3.377210
  C      -1.250643     -2.064762      0.601285
  C     -10.517448     -1.448899      7.611657
  C     -10.116232     -2.855949      7.172483
  C      -8.842188     -2.844706      6.330295
  N      -8.489842     -4.143395      5.776034
  C      -8.180935     -5.129957      6.815747
  C      -7.461969     -6.342438      6.203490
  C      -7.851272     -6.465392      4.734323
  C      -7.233067     -5.287436      3.917834
  C      -8.056967     -5.094874      2.581943
  C      -9.599660     -5.131272      2.786460
  C     -10.202169     -4.147694      1.776151
  C      -9.187550     -3.006689      1.778091
  C      -7.853709     -3.747994      1.729132
  C      -7.383742     -4.038143      4.826121
  C      -3.441810     -9.885567      8.964914
  C      -3.308419     -8.365127      8.914588
  C      -4.060818     -7.772519      7.711748
  N      -4.021915     -6.327327      7.538860
  C      -4.755572     -5.579921      8.552979
  C      -4.576203     -4.069150      8.314223
  C      -4.118672     -3.777313      6.883547
  C      -2.793356     -4.457900      6.468964
  C      -1.601712     -3.493238      6.771872
  C      -1.575597     -2.801062      8.151846
  C      -0.181646     -2.142344      8.244792
  C       0.700001     -2.886443      7.207931
  C      -0.166124     -4.048418      6.698274
  C      -2.699713     -5.759907      7.318421
  H       1.869899     -0.293927     -3.147636
  H       0.787512     -1.426618     -3.985980
  H       1.918640     -2.026302     -2.756022
  H      -0.457328     -0.134001     -2.203305
  H       0.670682     -0.729345     -0.981623
  H      -1.140488     -2.498934     -2.728714
  H      -0.016519     -3.094289     -1.494698
  H      -2.515103     -0.219728     -1.038921
  H      -3.143498     -1.485688     -2.125846
  H      -4.802557     -0.810250     -0.349151
  H      -4.378311     -2.526244     -0.226697
  H      -3.210549     -0.226124      1.419058
  H      -4.351859     -1.452073      1.995480
  H      -2.361628     -1.980889      3.841187
  H      -1.278801      0.311589      2.177381
  H      -2.289583      0.383557      3.624127
  H       0.328226      0.994782      3.878047
  H      -0.350365     -0.146521      5.060793
  H       1.104777     -0.897888      2.463667
  H       1.580730     -1.377280      4.105752
  H      -0.347710     -2.810697      4.350335
  H      -0.000066     -3.083925      2.655666
  H      -0.475051     -2.833834      0.742465
  H      -0.747627     -1.084975      0.745771
  H      -9.722773     -0.978080      8.210754
  H     -10.705737     -0.800612      6.742100
  H     -11.430779     -1.464192      8.222895
  H      -9.975768     -3.491238      8.061020
  H     -10.923555     -3.316260      6.579459
  H      -8.004851     -2.431179      6.947990
  H      -8.981105     -2.149637      5.485161
  H      -9.123404     -5.446177      7.289553
  H      -7.556612     -4.669830      7.616681
  H      -6.368383     -6.231268      6.277861
  H      -7.730274     -7.252115      6.761153
  H      -7.545213     -7.435973      4.328021
  H      -8.943643     -6.433257      4.657173
  H      -7.774334     -5.939958      1.931081
  H     -10.012512     -6.145213      2.691565
  H      -9.829163     -4.771792      3.801760
  H     -10.253477     -4.599945      0.771314
  H     -11.219670     -3.831853      2.049186
  H      -9.269957     -2.432270      2.716933
  H      -9.298527     -2.300550      0.942963
  H      -5.861071     -4.616708      1.536434
  H      -7.729324     -4.091686      0.676482
  H      -6.428994     -3.907248      5.365919
  H      -7.540165     -3.143724      4.211188
  H      -4.496942    -10.187537      9.054283
  H      -2.898275    -10.314486      9.818816
  H      -3.043199    -10.348597      8.048456
  H      -3.693095     -7.927038      9.849314
  H      -2.243560     -8.085568      8.853298
  H      -3.663765     -8.231046      6.787715
  H      -5.123685     -8.067299      7.772848
  H      -4.420276     -5.827710      9.584181
  H      -5.816134     -5.868363      8.485713
  H      -3.859779     -3.658956      9.036763
  H      -5.530179     -3.551089      8.500400
  H      -4.885442     -4.162076      6.199484
  H      -4.037975     -2.689706      6.733317
  H      -1.691978     -2.697646      6.009250
  H      -1.680089     -3.555684      8.947578
  H      -2.389915     -2.075860      8.282265
  H      -0.237690     -1.069543      8.009312
  H       0.227253     -2.220640      9.262190
  H       1.657200     -3.226106      7.627559
  H       0.939581     -2.216281      6.367826
  H      -0.073179     -4.917992      7.371286
  H       0.134594     -4.373542      5.696267
  H      -2.176963     -5.538185      8.275534
  H      -2.085676     -6.516055      6.816820
  N      -4.920571     -2.287143      4.172538
  H      -5.766617     -2.137593      3.577215
  H      -4.297111     -1.486186      4.043974
  H      -5.215368     -2.277755      5.150330
  N      -5.620424     -3.720826      1.995792
  N      -6.685441     -2.946911      2.063664
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.959736300765
  N      -2.703202     -3.594806      2.032760
  C      -2.678782     -4.543829      0.931689
  C      -2.339266     -5.908173      1.497750
  N      -3.244700     -6.205326      2.646266
  C      -4.400806     -7.018578      2.223130
  C      -5.508285     -6.954904      3.259042
  N      -5.767852     -5.581084      3.684240
  Mo     -4.109005     -4.286001      3.430004
  N      -2.865861     -4.771004      5.006712
  C      -1.824692     -5.683519      4.525654
  C      -2.485881     -6.820088      3.764819
  H      -1.209939     -6.109924      5.331354
  H      -1.125462     -5.154869      3.848808
  H      -3.192193     -7.334233      4.430955
  H      -1.762292     -7.557221      3.371027
  H      -6.386774     -7.419212      2.776627
  H      -5.258446     -7.613330      4.120828
  H      -4.761465     -6.587063      1.276039
  H      -4.091603     -8.063849      2.025548
  H      -1.945447     -4.279759      0.156849
  H      -3.655752     -4.597983      0.395274
  H      -1.308308     -5.885112      1.874383
  H      -2.415294     -6.715933      0.749416
  C       1.226775     -1.170292     -3.008823
  C       0.164711     -0.975254     -1.928849
  C      -0.687426     -2.243272     -1.744841
  N      -1.754392     -2.205753     -0.752331
  C      -2.848940     -1.304250     -1.076505
  C      -3.997486     -1.529795     -0.105007
  C      -3.527257     -1.298749      1.328737
  C      -2.324226     -2.190707      1.735416
  C      -1.678927     -1.658854      3.057425
  C      -1.435620     -0.131356      3.167226
  C      -0.148423      0.015075      3.990069
  C       0.705959     -1.153121      3.487210
  C      -0.304562     -2.306444      3.403313
  C      -1.259920     -2.059481      0.613099
  C     -10.463495     -1.416100      7.606142
  C     -10.083748     -2.828217      7.164082
  C      -8.810536     -2.834152      6.320485
  N      -8.476912     -4.136918      5.763524
  C      -8.180930     -5.130696      6.801251
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  C      -7.869410     -6.467009      4.717221
  C      -7.235593     -5.295279      3.902257
  C      -8.058940     -5.090209      2.569721
  C      -9.600814     -5.121460      2.777579
  C     -10.201001     -4.123684      1.778968
  C      -9.178994     -2.989757      1.787322
  C      -7.849648     -3.737334      1.728867
  C      -7.370761     -4.044012      4.812752
  C      -3.401270     -9.882705      8.995093
  C      -3.281675     -8.361354      8.934673
  C      -4.036001     -7.784223      7.725822
  N      -4.006980     -6.340914      7.542665
  C      -4.744064     -5.590599      8.553135
  C      -4.573203     -4.079289      8.308849
  C      -4.119984     -3.787341      6.878194
  C      -2.795965     -4.469524      6.463536
  C      -1.606349     -3.499890      6.756301
  C      -1.604179     -2.767726      8.115313
  C      -0.213166     -2.103924      8.210523
  C       0.689079     -2.885988      7.220040
  C      -0.170447     -4.059062      6.723199
  C      -2.689096     -5.767753      7.312739
  H       1.839484     -0.267762     -3.145578
  H       0.765193     -1.411557     -3.979175
  H       1.904909     -1.998933     -2.751230
  H      -0.486915     -0.127569     -2.195210
  H       0.649814     -0.710318     -0.975686
  H      -1.147821     -2.500982     -2.715339
  H      -0.017112     -3.081885     -1.480706
  H      -2.544322     -0.230892     -1.031287
  H      -3.160367     -1.505974     -2.114496
  H      -4.825767     -0.842808     -0.339367
  H      -4.383607     -2.553697     -0.212492
  H      -3.238905     -0.238467      1.426886
  H      -4.367022     -1.474004      2.007727
  H      -2.378733     -1.961252      3.851006
  H      -1.270680      0.306682      2.169495
  H      -2.291187      0.400962      3.608004
  H       0.330034      0.998489      3.871908
  H      -0.362926     -0.123138      5.063828
  H       1.103917     -0.913702      2.486701
  H       1.564367     -1.379382      4.137126
  H      -0.376654     -2.799194      4.380695
  H      -0.016978     -3.089244      2.690991
  H      -0.476808     -2.821061      0.755315
  H      -0.765949     -1.074391      0.756044
  H      -9.661058     -0.957922      8.204716
  H     -10.643620     -0.763707      6.737900
  H     -11.375993     -1.418988      8.218823
  H      -9.951528     -3.467024      8.051252
  H     -10.898506     -3.275559      6.571199
  H      -7.967089     -2.433606      6.938212
  H      -8.939946     -2.135156      5.476911
  H      -9.127382     -5.436066      7.274259
  H      -7.550756     -4.681670      7.604478
  H      -6.384484     -6.257167      6.260450
  H      -7.760612     -7.258398      6.742495
  H      -7.578156     -7.440392      4.309880
  H      -8.962512     -6.418806      4.639774
  H      -7.781229     -5.931143      1.912032
  H     -10.018650     -6.132895      2.673027
  H      -9.825249     -4.772558      3.797443
  H     -10.259106     -4.566576      0.770096
  H     -11.215314     -3.803621      2.058581
  H      -9.252195     -2.423562      2.731721
  H      -9.287838     -2.275235      0.959073
  H      -5.858142     -4.607017      1.525190
  H      -7.723665     -4.070962      0.673268
  H      -6.413869     -3.925150      5.352879
  H      -7.516170     -3.146886      4.199448
  H      -4.453902    -10.193836      9.083421
  H      -2.856339    -10.300796      9.853514
  H      -2.995785    -10.348299      8.083065
  H      -3.673241     -7.920284      9.865327
  H      -2.219274     -8.072431      8.874802
  H      -3.633733     -8.246614      6.805742
  H      -5.096890     -8.085774      7.787355
  H      -4.407174     -5.831707      9.585842
  H      -5.804442     -5.883810      8.488702
  H      -3.857971     -3.662495      9.029146
  H      -5.530050     -3.566080      8.494486
  H      -4.888805     -4.169054      6.194792
  H      -4.036523     -2.699813      6.728982
  H      -1.682940     -2.726615      5.970104
  H      -1.720314     -3.499776      8.930317
  H      -2.421723     -2.040669      8.212164
  H      -0.266002     -1.041391      7.931697
  H       0.175630     -2.141101      9.237919
  H       1.632673     -3.218734      7.675022
  H       0.955892     -2.243375      6.367415
  H      -0.092612     -4.911112      7.419977
  H       0.148814     -4.410445      5.734977
  H      -2.161022     -5.541717      8.265456
  H      -2.073547     -6.520971      6.805047
  N      -4.923932     -2.311985      4.189121
  H      -5.752077     -2.142682      3.575748
  H      -4.291567     -1.513838      4.092133
  H      -5.243092     -2.320641      5.159403
  N      -5.615427     -3.718501      1.995544
  N      -6.678061     -2.944639      2.075077
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.959970347325
  N      -2.706186     -3.584288      2.028649
  C      -2.686726     -4.532972      0.927714
  C      -2.340884     -5.895433      1.493339
  N      -3.236978     -6.193443      2.648852
  C      -4.390875     -7.015454      2.235859
  C      -5.495864     -6.951600      3.274818
  N      -5.759951     -5.576475      3.692182
  Mo     -4.105895     -4.275913      3.431454
  N      -2.859212     -4.756833      5.007160
  C      -1.810215     -5.656761      4.520415
  C      -2.465449     -6.799521      3.763249
  H      -1.186124     -6.077236      5.321432
  H      -1.120956     -5.120292      3.839467
  H      -3.162765     -7.319887      4.433644
  H      -1.736980     -7.530109      3.365799
  H      -6.374082     -7.421842      2.797280
  H      -5.240910     -7.604708      4.139362
  H      -4.757192     -6.592251      1.287171
  H      -4.076907     -8.060469      2.043984
  H      -1.958118     -4.267476      0.148639
  H      -3.666929     -4.590071      0.397470
  H      -1.307290     -5.869266      1.862345
  H      -2.420617     -6.704384      0.746699
  C       1.239392     -1.192947     -3.012335
  C       0.176951     -0.989369     -1.934366
  C      -0.680126     -2.253419     -1.746055
  N      -1.748030     -2.207663     -0.754882
  C      -2.838302     -1.303139     -1.084417
  C      -3.988948     -1.519953     -0.113510
  C      -3.519362     -1.285914      1.319756
  C      -2.321454     -2.181874      1.731368
  C      -1.676421     -1.651216      3.053809
  C      -1.446277     -0.122249      3.169832
  C      -0.158093      0.031925      3.989570
  C       0.705185     -1.126725      3.479576
  C      -0.294821     -2.288834      3.391760
  C      -1.254652     -2.057469      0.610493
  C     -10.491596     -1.452391      7.616045
  C     -10.101040     -2.860902      7.171772
  C      -8.828347     -2.855703      6.327422
  N      -8.484542     -4.155167      5.768866
  C      -8.183022     -5.147575      6.805771
  C      -7.467031     -6.360669      6.191496
  C      -7.854227     -6.478189      4.720888
  C      -7.229727     -5.300150      3.908565
  C      -8.054057     -5.100930      2.575870
  C      -9.595692     -5.139530      2.785347
  C     -10.201499     -4.141788      1.790106
  C      -9.183557     -3.003985      1.798319
  C      -7.852089     -3.747260      1.735395
  C      -7.377459     -4.052132      4.819965
  C      -3.476935     -9.867472      8.982461
  C      -3.335044     -8.347827      8.928077
  C      -4.078885     -7.754904      7.720243
  N      -4.028734     -6.311161      7.542331
  C      -4.754603     -5.553939      8.554666
  C      -4.568295     -4.044998      8.307088
  C      -4.108901     -3.763676      6.875904
  C      -2.789691     -4.457282      6.465246
  C      -1.591937     -3.499274      6.763831
  C      -1.555439     -2.814986      8.146690
  C      -0.164302     -2.150488      8.226022
  C       0.716513     -2.906608      7.196563
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  C      -2.702624     -5.756078      7.317151
  H       1.855708     -0.293346     -3.152127
  H       0.777928     -1.436497     -3.982159
  H       1.914026     -2.023108     -2.750476
  H      -0.471251     -0.140377     -2.204957
  H       0.662029     -0.722300     -0.981776
  H      -1.140245     -2.513495     -2.716076
  H      -0.013215     -3.093305     -1.477437
  H      -2.529511     -0.230805     -1.043333
  H      -3.149107     -1.508143     -2.121964
  H      -4.813750     -0.830036     -0.351370
  H      -4.379685     -2.542385     -0.217452
  H      -3.225797     -0.226529      1.414561
  H      -4.360677     -1.454309      1.997971
  H      -2.370860     -1.963413      3.848210
  H      -1.288384      0.321650      2.173655
  H      -2.305187      0.400455      3.615809
  H       0.311434      1.019925      3.873640
  H      -0.368311     -0.111798      5.063564
  H       1.099091     -0.879167      2.479449
  H       1.566857     -1.348436      4.126731
  H      -0.358664     -2.788673      4.365696
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  H      -9.692329     -0.988888      8.214756
  H     -10.677261     -0.800240      6.748814
  H     -11.403630     -1.463254      8.229302
  H      -9.963156     -3.499915      8.057948
  H     -10.912652     -3.313691      6.578769
  H      -7.987571     -2.449475      6.945220
  H      -8.963918     -2.156884      5.484783
  H      -9.128424     -5.462426      7.274449
  H      -7.560732     -4.693206      7.611614
  H      -6.373174     -6.254251      6.268502
  H      -7.740400     -7.270739      6.746059
  H      -7.553088     -7.448493      4.312309
  H      -8.947281     -6.440127      4.641790
  H      -7.771814     -5.940792      1.918708
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  H      -9.820292     -4.794909      3.806821
  H     -10.260523     -4.582284      0.780359
  H     -11.216374     -3.826162      2.073092
  H      -9.256059     -2.439718      2.744025
  H      -9.297027     -2.288393      0.971677
  H      -5.858187     -4.609341      1.529493
  H      -7.727270     -4.079947      0.679267
  H      -6.422747     -3.926129      5.361084
  H      -7.529801     -3.155413      4.207667
  H      -4.534154    -10.163488      9.067596
  H      -2.939875    -10.296669      9.840335
  H      -3.076520    -10.335546      8.069421
  H      -3.721600     -7.904687      9.859730
  H      -2.268406     -8.074242      8.871054
  H      -3.681690     -8.219460      6.799255
  H      -5.144123     -8.041666      7.778492
  H      -4.416352     -5.797031      9.586364
  H      -5.817787     -5.837211      8.493115
  H      -3.850175     -3.633641      9.027522
  H      -5.520056     -3.521476      8.489096
  H      -4.879086     -4.144598      6.193649
  H      -4.018614     -2.677616      6.720614
  H      -1.686486     -2.698710      6.007225
  H      -1.647441     -3.575717      8.938396
  H      -2.371616     -2.094361      8.290830
  H      -0.226511     -1.082162      7.972271
  H       0.248094     -2.209287      9.243157
  H       1.664611     -3.259991      7.625664
  H       0.974405     -2.238822      6.360621
  H      -0.066413     -4.936362      7.338723
  H       0.136498     -4.373068      5.668889
  H      -2.175240     -5.535656      8.271954
  H      -2.095708     -6.518058      6.813872
  N      -4.923585     -2.301310      4.186857
  H      -5.757356     -2.138840      3.578662
  H      -4.295059     -1.501103      4.081646
  H      -5.235450     -2.306548      5.159483
  N      -5.617431     -3.718100      1.997585
  N      -6.683506     -2.950043      2.079054
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.959886569211
  N      -2.717089     -3.591030      2.011938
  C      -2.713376     -4.542277      0.913166
  C      -2.363143     -5.903103      1.480492
  N      -3.239953     -6.193853      2.653355
  C      -4.393366     -7.030635      2.267437
  C      -5.492417     -6.954618      3.313341
  N      -5.759106     -5.573554      3.707359
  Mo     -4.110574     -4.271733      3.424054
  N      -2.854785     -4.736388      4.998050
  C      -1.795922     -5.619058      4.502121
  C      -2.441100     -6.778433      3.761033
  H      -1.152199     -6.021770      5.295521
  H      -1.127597     -5.073724      3.807455
  H      -3.118197     -7.307054      4.444708
  H      -1.704836     -7.498136      3.357667
  H      -6.372105     -7.436272      2.850764
  H      -5.229086     -7.591880      4.187446
  H      -4.770199     -6.628359      1.313587
  H      -4.074168     -8.077398      2.092871
  H      -1.994024     -4.280880      0.124415
  H      -3.700623     -4.599268      0.395929
  H      -1.323359     -5.878245      1.831730
  H      -2.457865     -6.715169      0.739099
  C       1.258831     -1.166921     -3.002835
  C       0.191808     -0.970226     -1.928265
  C      -0.671077     -2.232766     -1.757335
  N      -1.742041     -2.193586     -0.769079
  C      -2.826947     -1.280136     -1.091639
  C      -3.981393     -1.502378     -0.126534
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  C      -2.323086     -2.190563      1.717587
  C      -1.682359     -1.670100      3.044719
  C      -1.454219     -0.142343      3.173231
  C      -0.176332      0.004527      4.008672
  C       0.694277     -1.147288      3.494522
  C      -0.301896     -2.310474      3.384117
  C      -1.252247     -2.063725      0.599906
  C     -10.495042     -1.433614      7.604653
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  C      -7.838755     -6.474188      4.750129
  C      -7.227887     -5.299776      3.923517
  C      -8.061098     -5.117636      2.592314
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  C      -9.195647     -3.032161      1.789731
  C      -7.864334     -3.777519      1.729812
  C      -7.376445     -4.045711      4.823994
  C      -3.487605     -9.884168      8.932751
  C      -3.338149     -8.364931      8.893610
  C      -4.088118     -7.754839      7.698029
  N      -4.030497     -6.309333      7.533447
  C      -4.742629     -5.556281      8.557778
  C      -4.557124     -4.046459      8.313648
  C      -4.103690     -3.760410      6.880205
  C      -2.786248     -4.451622      6.460909
  C      -1.584490     -3.500131      6.765020
  C      -1.569753     -2.780514      8.130543
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  C      -2.703094     -5.759080      7.303759
  H       1.879135     -0.268223     -3.130413
  H       0.801365     -1.399002     -3.977344
  H       1.929115     -2.002158     -2.745952
  H      -0.451765     -0.115976     -2.193362
  H       0.673047     -0.714865     -0.970481
  H      -1.128743     -2.479945     -2.731883
  H      -0.008616     -3.078397     -1.495642
  H      -2.513421     -0.209819     -1.037317
  H      -3.135323     -1.471975     -2.132442
  H      -4.802125     -0.805842     -0.359293
  H      -4.377114     -2.521923     -0.241479
  H      -3.215882     -0.227417      1.415437
  H      -4.359695     -1.455089      1.983508
  H      -2.379551     -1.987535      3.834850
  H      -1.285341      0.307761      2.181694
  H      -2.318042      0.377460      3.613414
  H       0.292968      0.994536      3.909241
  H      -0.400281     -0.151613      5.078679
  H       1.097846     -0.888035      2.501123
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  H      -0.371209     -2.823782      4.350216
  H      -0.002333     -3.075485      2.657317
  H      -0.479469     -2.835960      0.739325
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  H      -9.696432     -0.960732      8.196854
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  H     -11.405318     -1.443389      8.220528
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  H     -10.909583     -3.306378      6.585685
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  H      -7.546506     -4.657466      7.620022
  H      -6.355175     -6.222775      6.291420
  H      -7.713788     -7.244535      6.782566
  H      -7.527919     -7.446154      4.350511
  H      -8.931369     -6.448506      4.673997
  H      -7.783131     -5.967439      1.945654
  H     -10.017004     -6.165615      2.723181
  H      -9.821666     -4.788676      3.826943
  H     -10.274929     -4.627307      0.799815
  H     -11.227087     -3.852631      2.084216
  H      -9.267673     -2.454262      2.727203
  H      -9.313782     -2.329067      0.953056
  H      -5.863139     -4.639032      1.527613
  H      -7.750322     -4.126132      0.677642
  H      -6.420769     -3.914262      5.361388
  H      -7.532143     -3.154473      4.204213
  H      -4.545780    -10.175531      9.021415
  H      -2.947444    -10.325198      9.782598
  H      -3.095318    -10.344641      8.012264
  H      -3.715277     -7.929955      9.832806
  H      -2.270560     -8.096096      8.831075
  H      -3.701336     -8.212123      6.769136
  H      -5.154476     -8.036299      7.761937
  H      -4.391351     -5.804294      9.583692
  H      -5.805949     -5.838401      8.509240
  H      -3.835721     -3.638533      9.032516
  H      -5.507599     -3.522670      8.501275
  H      -4.876138     -4.142414      6.201168
  H      -4.015727     -2.673886      6.726147
  H      -1.648649     -2.719289      5.984362
  H      -1.685511     -3.518799      8.940422
  H      -2.380500     -2.047685      8.238696
  H      -0.218799     -1.071274      7.920275
  H       0.210292     -2.147568      9.250385
  H       1.647095     -3.298463      7.721609
  H       1.031173     -2.300412      6.401258
  H      -0.098272     -4.947702      7.412910
  H       0.158653     -4.424458      5.738813
  H      -2.169190     -5.550300      8.257870
  H      -2.104905     -6.520838      6.791837
  N      -4.930935     -2.287820      4.149327
  H      -5.781865     -2.151203      3.557461
  H      -4.313816     -1.484194      4.007361
  H      -5.219142     -2.269870      5.128931
  N      -5.625749     -3.738676      1.979958
  N      -6.695743     -2.970953      2.049932
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960103911510
  N      -2.707799     -3.591004      2.024104
  C      -2.693244     -4.540741      0.923950
  C      -2.348619     -5.903201      1.490466
  N      -3.240542     -6.197516      2.650635
  C      -4.394413     -7.023490      2.244623
  C      -5.500469     -6.953190      3.282766
  N      -5.762948     -5.575374      3.691247
  Mo     -4.107867     -4.277133      3.427818
  N      -2.860842     -4.753849      5.005305
  C      -1.809181     -5.648983      4.515899
  C      -2.461249     -6.796929      3.763705
  H      -1.179206     -6.064200      5.314435
  H      -1.126016     -5.109738      3.830876
  H      -3.152644     -7.319352      4.438274
  H      -1.730232     -7.524482      3.365208
  H      -6.379249     -7.424943      2.808089
  H      -5.246664     -7.601722      4.151158
  H      -4.761126     -6.607749      1.292709
  H      -4.079300     -8.069626      2.060279
  H      -1.966412     -4.277516      0.142686
  H      -3.675088     -4.596411      0.396480
  H      -1.313376     -5.879264      1.854937
  H      -2.433765     -6.712953      0.745336
  C       1.244569     -1.178161     -3.008085
  C       0.179645     -0.980100     -1.931593
  C      -0.675786     -2.246188     -1.749651
  N      -1.745467     -2.205776     -0.760129
  C      -2.836977     -1.302220     -1.088317
  C      -3.988757     -1.524754     -0.120080
  C      -3.521578     -1.293422      1.314290
  C      -2.322998     -2.188602      1.726239
  C      -1.683073     -1.656215      3.049653
  C      -1.457237     -0.126731      3.164732
  C      -0.178802      0.030687      3.997850
  C       0.693190     -1.125008      3.495385
  C      -0.301619     -2.290648      3.394507
  C      -1.254520     -2.061409      0.606926
  C     -10.473430     -1.440844      7.624439
  C     -10.086781     -2.850415      7.180213
  C      -8.818494     -2.847942      6.329331
  N      -8.479411     -4.148418      5.770451
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  C      -7.852902     -6.473834      4.723646
  C      -7.231869     -5.297063      3.907316
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  C      -9.601631     -5.129066      2.789067
  C     -10.205029     -4.134933      1.789176
  C      -9.180184     -3.002968      1.785807
  C      -7.853143     -3.755399      1.724229
  C      -7.376463     -4.047682      4.816333
  C      -3.460351     -9.876233      8.977504
  C      -3.326988     -8.355785      8.926910
  C      -4.071003     -7.764221      7.718493
  N      -4.026077     -6.320047      7.541995
  C      -4.753788     -5.565380      8.554529
  C      -4.573175     -4.055232      8.307867
  C      -4.112486     -3.768774      6.877427
  C      -2.792138     -4.459177      6.465233
  C      -1.593640     -3.501801      6.763821
  C      -1.566713     -2.797170      8.136511
  C      -0.176871     -2.131630      8.212364
  C       0.718051     -2.925500      7.223741
  C      -0.163206     -4.072816      6.702593
  C      -2.702350     -5.759718      7.316102
  H       1.859782     -0.277102     -3.143368
  H       0.785444     -1.418967     -3.979694
  H       1.919969     -2.008201     -2.747793
  H      -0.469380     -0.131179     -2.200396
  H       0.662361     -0.715755     -0.977015
  H      -1.133759     -2.503290     -2.721471
  H      -0.008100     -3.086072     -1.482851
  H      -2.530557     -0.229431     -1.042838
  H      -3.145509     -1.504214     -2.127145
  H      -4.814617     -0.835756     -0.357124
  H      -4.377356     -2.547896     -0.226978
  H      -3.229914     -0.233666      1.411631
  H      -4.364073     -1.464756      1.990756
  H      -2.379575     -1.968609      3.842282
  H      -1.289510      0.314877      2.169143
  H      -2.321703      0.395565      3.600466
  H       0.289152      1.020108      3.887338
  H      -0.401292     -0.113548      5.069307
  H       1.096899     -0.874237      2.499935
  H       1.548651     -1.344965      4.151351
  H      -0.370873     -2.796598      4.364856
  H      -0.000424     -3.060902      2.674030
  H      -0.475340     -2.826450      0.751004
  H      -0.756054     -1.078979      0.751259
  H      -9.670397     -0.977379      8.218110
  H     -10.663133     -0.789754      6.757296
  H     -11.382130     -1.449883      8.242650
  H      -9.945207     -3.488343      8.066630
  H     -10.901961     -3.303114      6.592063
  H      -7.973651     -2.442575      6.942233
  H      -8.957497     -2.149956      5.486539
  H      -9.117305     -5.452750      7.281331
  H      -7.546613     -4.684680      7.609158
  H      -6.367435     -6.247436      6.265829
  H      -7.733095     -7.263102      6.749337
  H      -7.551414     -7.444679      4.315520
  H      -8.945758     -6.437195      4.647924
  H      -7.784056     -5.946999      1.922684
  H     -10.021447     -6.139908      2.689802
  H      -9.821354     -4.776257      3.808795
  H     -10.270255     -4.582128      0.782816
  H     -11.217091     -3.811626      2.073500
  H      -9.247005     -2.431224      2.727312
  H      -9.292583     -2.293221      0.953975
  H      -5.854193     -4.617221      1.521846
  H      -7.731334     -4.094806      0.670110
  H      -6.419360     -3.920613      5.352906
  H      -7.531774     -3.152474      4.202379
  H      -4.516188    -10.178417      9.057805
  H      -2.924215    -10.304147      9.836583
  H      -3.053669    -10.340118      8.065071
  H      -3.718697     -7.917008      9.858434
  H      -2.261772     -8.075856      8.873335
  H      -3.670247     -8.225648      6.797488
  H      -5.135040     -8.055756      7.774418
  H      -4.413329     -5.807367      9.585745
  H      -5.815753     -5.852340      8.495081
  H      -3.857965     -3.642489      9.030216
  H      -5.527165     -3.535376      8.488819
  H      -4.881230     -4.149500      6.193438
  H      -4.024068     -2.682072      6.724973
  H      -1.674860     -2.712408      5.994042
  H      -1.662577     -3.545691      8.939461
  H      -2.383444     -2.074281      8.265035
  H      -0.235920     -1.073848      7.916663
  H       0.220661     -2.150717      9.236982
  H       1.645147     -3.289174      7.688521
  H       1.016036     -2.281189      6.382872
  H      -0.088027     -4.945764      7.373119
  H       0.142701     -4.399102      5.702107
  H      -2.175603     -5.539571      8.271461
  H      -2.093562     -6.519285      6.812259
  N      -4.925318     -2.298344      4.171977
  H      -5.769811     -2.149037      3.574878
  H      -4.302984     -1.496240      4.045795
  H      -5.221691     -2.292323      5.149381
  N      -5.615694     -3.723246      1.984803
  N      -6.684007     -2.956037      2.061612
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960125965725
  N      -2.711645     -3.588156      2.020413
  C      -2.694193     -4.536158      0.918687
  C      -2.348208     -5.898990      1.482788
  N      -3.240935     -6.197645      2.641226
  C      -4.394652     -7.021637      2.232153
  C      -5.496658     -6.958600      3.274809
  N      -5.759164     -5.582917      3.691264
  Mo     -4.107967     -4.280242      3.424449
  N      -2.854887     -4.755813      4.997231
  C      -1.807206     -5.654773      4.505938
  C      -2.464886     -6.800383      3.754198
  H      -1.177606     -6.072591      5.303843
  H      -1.123456     -5.117973      3.819736
  H      -3.159699     -7.319052      4.428499
  H      -1.737527     -7.531937      3.356295
  H      -6.376741     -7.428785      2.800790
  H      -5.237838     -7.611589      4.138429
  H      -4.764549     -6.599639      1.284300
  H      -4.079384     -8.066173      2.039689
  H      -1.966676     -4.269432      0.138927
  H      -3.675280     -4.592457      0.390171
  H      -1.313452     -5.874367      1.848522
  H      -2.431141     -6.707217      0.735807
  C       1.257285     -1.178396     -2.997863
  C       0.189733     -0.979405     -1.924118
  C      -0.666095     -2.245403     -1.743249
  N      -1.739247     -2.203764     -0.757493
  C      -2.828435     -1.299280     -1.090635
  C      -3.984928     -1.520216     -0.127708
  C      -3.523897     -1.290498      1.309011
  C      -2.326630     -2.185456      1.725853
  C      -1.691690     -1.657266      3.053582
  C      -1.477682     -0.127357      3.182110
  C      -0.208637      0.031508      4.029462
  C       0.678060     -1.110320      3.521529
  C      -0.305149     -2.283428      3.395408
  C      -1.253176     -2.059569      0.611321
  C     -10.474270     -1.436446      7.610739
  C     -10.090499     -2.848028      7.170209
  C      -8.819877     -2.850985      6.322908
  N      -8.482024     -4.154028      5.768594
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  C      -7.848258     -6.484531      4.731454
  C      -7.228536     -5.308306      3.912822
  C      -8.059112     -5.116872      2.582215
  C      -9.600320     -5.155092      2.800246
  C     -10.212029     -4.152565      1.813496
  C      -9.189824     -3.017866      1.813792
  C      -7.862228     -3.767821      1.736332
  C      -7.374051     -4.057825      4.819651
  C      -3.500049     -9.863934      8.966761
  C      -3.348571     -8.345063      8.919135
  C      -4.093597     -7.741255      7.717295
  N      -4.029297     -6.297657      7.542480
  C      -4.734177     -5.533109      8.563324
  C      -4.543474     -4.025987      8.305097
  C      -4.093418     -3.756685      6.868449
  C      -2.779658     -4.457193      6.454507
  C      -1.576019     -3.505818      6.751968
  C      -1.545677     -2.803758      8.125220
  C      -0.159756     -2.131518      8.190918
  C       0.741151     -2.944763      7.223355
  C      -0.147134     -4.081753      6.688467
  C      -2.699294     -5.757282      7.305808
  H       1.872769     -0.277436     -3.132461
  H       0.800485     -1.420144     -3.970335
  H       1.932070     -2.008168     -2.735129
  H      -0.458734     -0.130789     -2.195306
  H       0.670077     -0.714229     -0.968612
  H      -1.120669     -2.503788     -2.716340
  H       0.000821     -3.084722     -1.472919
  H      -2.521401     -0.226718     -1.044066
  H      -3.132241     -1.501301     -2.130864
  H      -4.808302     -0.829466     -0.368016
  H      -4.375217     -2.542154     -0.236639
  H      -3.233556     -0.230730      1.408816
  H      -4.369115     -1.463649      1.981308
  H      -2.385534     -1.981975      3.843385
  H      -1.302578      0.322473      2.191511
  H      -2.349891      0.386058      3.612925
  H       0.251913      1.025996      3.934544
  H      -0.439480     -0.126944      5.097420
  H       1.089434     -0.843152      2.533609
  H       1.528813     -1.331032      4.183295
  H      -0.374589     -2.806992      4.355962
  H       0.007960     -3.037978      2.663303
  H      -0.476028     -2.826077      0.758707
  H      -0.753795     -1.077938      0.757378
  H      -9.671298     -0.974231      8.205486
  H     -10.659887     -0.786540      6.741833
  H     -11.384478     -1.441753      8.226756
  H      -9.952969     -3.484761      8.058098
  H     -10.905509     -3.299334      6.580749
  H      -7.975854     -2.446248      6.937269
  H      -8.954677     -2.155034      5.477824
  H      -9.132041     -5.458022      7.273750
  H      -7.566071     -4.686414      7.616300
  H      -6.369784     -6.244738      6.280688
  H      -7.733337     -7.265131      6.761432
  H      -7.541517     -7.455638      4.328708
  H      -8.941283     -6.452839      4.651166
  H      -7.777913     -5.959571      1.928341
  H     -10.015437     -6.166887      2.690850
  H      -9.817492     -4.815400      3.825024
  H     -10.283057     -4.589112      0.802908
  H     -11.223106     -3.834821      2.107946
  H      -9.249690     -2.454954      2.761044
  H      -9.309193     -2.301107      0.989123
  H      -5.862032     -4.625791      1.521737
  H      -7.748261     -4.102165      0.679566
  H      -6.419201     -3.932328      5.360588
  H      -7.524950     -3.162621      4.204754
  H      -4.558971    -10.153500      9.053123
  H      -2.963624    -10.300517      9.821280
  H      -3.105042    -10.330342      8.050499
  H      -3.728598     -7.903921      9.854350
  H      -2.280456     -8.077838      8.858963
  H      -3.706030     -8.206458      6.792737
  H      -5.161179     -8.018293      7.780676
  H      -4.378932     -5.772368      9.590329
  H      -5.799692     -5.811046      8.520986
  H      -3.816984     -3.614563      9.017272
  H      -5.490670     -3.495926      8.490911
  H      -4.868754     -4.142709      6.194425
  H      -4.002237     -2.672010      6.703540
  H      -1.656234     -2.714219      5.984059
  H      -1.631717     -3.555293      8.926861
  H      -2.365473     -2.085494      8.260833
  H      -0.223746     -1.082166      7.867241
  H       0.234356     -2.121388      9.216895
  H       1.651509     -3.322615      7.709389
  H       1.068782     -2.308893      6.386852
  H      -0.077925     -4.962208      7.349497
  H       0.160008     -4.398889      5.685274
  H      -2.162035     -5.543180      8.256750
  H      -2.105303     -6.525098      6.796359
  N      -4.931088     -2.304069      4.169059
  H      -5.754669     -2.140208      3.547029
  H      -4.299252     -1.505570      4.071633
  H      -5.258310     -2.307641      5.136683
  N      -5.622622     -3.730831      1.984232
  N      -6.692224     -2.968652      2.069279
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960246958921
  N      -2.713740     -3.586707      2.017719
  C      -2.690076     -4.536115      0.917080
  C      -2.343463     -5.897629      1.484308
  N      -3.240013     -6.195079      2.640122
  C      -4.390934     -7.021135      2.227396
  C      -5.496621     -6.957835      3.265610
  N      -5.761512     -5.582727      3.681694
  Mo     -4.111594     -4.278126      3.419362
  N      -2.861220     -4.748703      4.995813
  C      -1.813248     -5.650726      4.510340
  C      -2.467921     -6.796186      3.756714
  H      -1.189637     -6.069383      5.313034
  H      -1.123476     -5.115465      3.828480
  H      -3.165227     -7.314473      4.429029
  H      -1.738676     -7.527754      3.362595
  H      -6.375074     -7.428796      2.789035
  H      -5.240507     -7.610451      4.130113
  H      -4.757577     -6.600586      1.277656
  H      -4.073485     -8.065270      2.037381
  H      -1.960390     -4.269229      0.139671
  H      -3.668908     -4.595124      0.384891
  H      -1.309962     -5.871740      1.853527
  H      -2.423275     -6.707261      0.738478
  C       1.264521     -1.183372     -2.996776
  C       0.197481     -0.982806     -1.922712
  C      -0.662019     -2.246595     -1.743885
  N      -1.736303     -2.202967     -0.759645
  C      -2.823810     -1.296851     -1.093928
  C      -3.981678     -1.516070     -0.132370
  C      -3.521200     -1.286042      1.304455
  C      -2.326166     -2.184013      1.723078
  C      -1.690939     -1.653186      3.049487
  C      -1.467627     -0.124053      3.168862
  C      -0.206796      0.031787      4.028607
  C       0.678316     -1.117544      3.534809
  C      -0.310055     -2.286052      3.400496
  C      -1.251493     -2.061144      0.609769
  C     -10.460604     -1.455809      7.639440
  C     -10.077481     -2.865428      7.192223
  C      -8.814607     -2.863038      6.333394
  N      -8.478253     -4.163751      5.772594
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  C      -7.846628     -6.489278      4.724817
  C      -7.231220     -5.310392      3.906571
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  C     -10.218933     -4.143202      1.821403
  C      -9.190213     -3.014829      1.813800
  C      -7.866901     -3.771057      1.729527
  C      -7.377385     -4.061150      4.816114
  C      -3.500874     -9.853288      8.971340
  C      -3.354387     -8.333931      8.922031
  C      -4.098594     -7.734616      7.717597
  N      -4.036661     -6.291697      7.539577
  C      -4.743167     -5.526151      8.558504
  C      -4.555475     -4.018460      8.299225
  C      -4.101206     -3.746842      6.864838
  C      -2.788313     -4.449299      6.452625
  C      -1.582307     -3.501443      6.751123
  C      -1.547822     -2.801796      8.124961
  C      -0.167046     -2.120947      8.176354
  C       0.741158     -2.960380      7.237667
  C      -0.156124     -4.083914      6.685604
  C      -2.707334     -5.750185      7.301497
  H       1.882912     -0.284199     -3.129963
  H       0.806950     -1.422083     -3.969637
  H       1.936633     -2.015723     -2.735395
  H      -0.448493     -0.131920     -2.192574
  H       0.678601     -0.720461     -0.966826
  H      -1.116410     -2.502861     -2.717629
  H       0.002194     -3.088092     -1.473688
  H      -2.515216     -0.224748     -1.047123
  H      -3.126842     -1.498425     -2.134474
  H      -4.804088     -0.824541     -0.373812
  H      -4.372747     -2.537768     -0.241128
  H      -3.227651     -0.227334      1.402896
  H      -4.366848     -1.455666      1.977105
  H      -2.389032     -1.968381      3.839424
  H      -1.277572      0.316202      2.176479
  H      -2.340738      0.399332      3.585424
  H       0.260838      1.022903      3.933484
  H      -0.450355     -0.118944      5.094333
  H       1.101258     -0.855276      2.550478
  H       1.520847     -1.340829      4.206046
  H      -0.390198     -2.812583      4.359100
  H       0.006284     -3.040181      2.669631
  H      -0.477120     -2.830579      0.756967
  H      -0.748143     -1.081357      0.757572
  H      -9.653223     -0.992726      8.227499
  H     -10.656223     -0.804528      6.773758
  H     -11.364904     -1.464845      8.264065
  H      -9.930045     -3.503802      8.077295
  H     -10.896782     -3.317547      6.609318
  H      -7.966304     -2.457699      6.941387
  H      -8.958451     -2.164803      5.491547
  H      -9.114777     -5.473894      7.279375
  H      -7.547509     -4.701020      7.613101
  H      -6.359707     -6.253772      6.265690
  H      -7.719288     -7.276845      6.751114
  H      -7.542729     -7.458802      4.316943
  H      -8.940517     -6.456410      4.650592
  H      -7.789785     -5.962517      1.924766
  H     -10.025340     -6.160198      2.694125
  H      -9.816610     -4.811412      3.829365
  H     -10.300071     -4.579679      0.811427
  H     -11.225873     -3.819508      2.123049
  H      -9.238417     -2.451386      2.761207
  H      -9.311039     -2.297922      0.989432
  H      -5.861472     -4.624548      1.513057
  H      -7.754680     -4.105296      0.672872
  H      -6.419786     -3.932373      5.351603
  H      -7.535989     -3.165928      4.203457
  H      -4.559087    -10.146322      9.054990
  H      -2.965502    -10.286962      9.828022
  H      -3.101668    -10.319555      8.056895
  H      -3.738366     -7.892831      9.855747
  H      -2.287021     -8.063297      8.864242
  H      -3.708761     -8.201043      6.794380
  H      -5.165673     -8.013392      7.780511
  H      -4.387990     -5.763650      9.586033
  H      -5.808553     -5.805360      8.516174
  H      -3.833651     -3.604149      9.014311
  H      -5.505516     -3.491314      8.480402
  H      -4.875805     -4.128382      6.188052
  H      -4.005799     -2.662282      6.702398
  H      -1.661527     -2.707741      5.986025
  H      -1.620219     -3.555676      8.925969
  H      -2.371190     -2.089415      8.269398
  H      -0.237151     -1.083916      7.815915
  H       0.222730     -2.072389      9.202850
  H       1.627649     -3.356824      7.752421
  H       1.110251     -2.338598      6.408835
  H      -0.095267     -4.973285      7.335190
  H       0.151714     -4.390352      5.678799
  H      -2.168811     -5.537749      8.251973
  H      -2.113628     -6.516990      6.789023
  N      -4.939262     -2.302230      4.162175
  H      -5.782976     -2.157818      3.562798
  H      -4.321561     -1.496715      4.036077
  H      -5.237493     -2.297526      5.138929
  N      -5.624034     -3.729433      1.973270
  N      -6.696200     -2.971190      2.061484
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960278459819
  N      -2.707437     -3.595467      2.022649
  C      -2.689774     -4.541746      0.919318
  C      -2.348987     -5.906121      1.482827
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  C      -5.511300     -6.956972      3.255185
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  N      -2.870739     -4.764730      4.999946
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  C      -2.471197     -6.805074      3.753155
  H      -1.191791     -6.078791      5.308385
  H      -1.133797     -5.118419      3.828619
  H      -3.165446     -7.326916      4.425294
  H      -1.740092     -7.533250      3.355979
  H      -6.389312     -7.422918      2.773528
  H      -5.264769     -7.610639      4.121798
  H      -4.758548     -6.608943      1.270663
  H      -4.082480     -8.072453      2.039563
  H      -1.959776     -4.276070      0.141862
  H      -3.669576     -4.594340      0.387982
  H      -1.315122     -5.885884      1.851296
  H      -2.433184     -6.713319      0.734864
  C       1.253927     -1.181502     -3.003198
  C       0.189234     -0.984546     -1.926235
  C      -0.665588     -2.251202     -1.745179
  N      -1.737733     -2.210632     -0.758414
  C      -2.829761     -1.309540     -1.091208
  C      -3.984424     -1.533288     -0.126940
  C      -3.521105     -1.298904      1.308139
  C      -2.322408     -2.192250      1.726107
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  C      -0.231174      0.038202      4.046321
  C       0.670979     -1.100475      3.558133
  C      -0.303417     -2.278463      3.403232
  C      -1.250439     -2.067281      0.610087
  C     -10.420383     -1.448365      7.667994
  C     -10.051752     -2.857773      7.208143
  C      -8.795384     -2.859206      6.340010
  N      -8.473219     -4.158408      5.767649
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  C      -7.859645     -6.480786      4.701732
  C      -7.239310     -5.300800      3.889292
  C      -8.073907     -5.098919      2.560547
  C      -9.614993     -5.106398      2.790749
  C     -10.217358     -4.092312      1.810431
  C      -9.169416     -2.981410      1.790500
  C      -7.858145     -3.760475      1.705785
  C      -7.377741     -4.055778      4.804575
  C      -3.432597     -9.862359      9.013540
  C      -3.319182     -8.340634      8.955232
  C      -4.060579     -7.766105      7.736935
  N      -4.026496     -6.323459      7.547827
  C      -4.760748     -5.563614      8.551230
  C      -4.587383     -4.053604      8.294010
  C      -4.121847     -3.770967      6.864142
  C      -2.800459     -4.462461      6.457766
  C      -1.599969     -3.504730      6.747480
  C      -1.572014     -2.771874      8.103515
  C      -0.200577     -2.075325      8.125624
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  H       1.869142     -0.280341     -3.137795
  H       0.794432     -1.421411     -3.974843
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  H      -0.460357     -0.135839     -2.194279
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  H      -2.526059     -0.236004     -1.045852
  H      -3.133984     -1.513356     -2.130965
  H      -4.810457     -0.845504     -0.367105
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  H      -3.231028     -0.238814      1.403443
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  H      -2.359494      0.393962      3.571439
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  H      -0.489816     -0.118835      5.107413
  H       1.103980     -0.827758      2.581031
  H       1.506932     -1.319351      4.238976
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  H      -9.903052     -3.503456      8.087751
  H     -10.878997     -3.299233      6.628320
  H      -7.938977     -2.465467      6.944377
  H      -8.939929     -2.154035      5.504052
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  H      -7.533650     -4.714010      7.597899
  H      -6.366598     -6.265924      6.237460
  H      -7.730780     -7.283112      6.721793
  H      -7.562520     -7.449728      4.286128
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  H      -7.812469     -5.950614      1.909989
  H     -10.050585     -6.109858      2.683792
  H      -9.817423     -4.764008      3.817429
  H     -10.313957     -4.530608      0.802686
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  H      -9.202274     -2.411169      2.734285
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  H      -5.845643     -4.614620      1.500582
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  H      -4.485160    -10.178223      9.083871
  H      -2.900433    -10.277878      9.881128
  H      -3.009696    -10.326128      8.108484
  H      -3.725219     -7.901906      9.880628
  H      -2.257376     -8.046624      8.909327
  H      -3.649249     -8.230798      6.822235
  H      -5.121978     -8.067656      7.788692
  H      -4.420598     -5.794107      9.585288
  H      -5.821419     -5.855579      8.492588
  H      -3.877237     -3.633533      9.017067
  H      -5.544687     -3.537253      8.467679
  H      -4.887682     -4.153359      6.177700
  H      -4.033489     -2.684516      6.709187
  H      -1.671464     -2.729134      5.963694
  H      -1.630923     -3.505384      8.924586
  H      -2.402207     -2.064726      8.233191
  H      -0.279526     -1.069392      7.686534
  H       0.175892     -1.944402      9.149998
  H       1.573560     -3.373565      7.833055
  H       1.157197     -2.391536      6.430168
  H      -0.127574     -4.975885      7.368398
  H       0.142214     -4.413831      5.709560
  H      -2.183134     -5.525576      8.273559
  H      -2.091764     -6.515688      6.821623
  N      -4.934917     -2.305759      4.162514
  H      -5.770729     -2.153174      3.553940
  H      -4.309181     -1.505134      4.044030
  H      -5.243718     -2.300793      5.136052
  N      -5.611675     -3.720092      1.960183
  N      -6.686147     -2.963316      2.044670
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960343997075
  N      -2.710343     -3.599456      2.018691
  C      -2.693665     -4.546428      0.915487
  C      -2.352880     -5.911070      1.478406
  N      -3.248938     -6.208083      2.634987
  C      -4.403110     -7.030184      2.222483
  C      -5.510809     -6.962080      3.259088
  N      -5.769575     -5.585386      3.673914
  Mo     -4.112254     -4.289049      3.417033
  N      -2.865741     -4.768428      4.993521
  C      -1.817752     -5.667229      4.502752
  C      -2.474642     -6.811835      3.748942
  H      -1.189572     -6.086178      5.301084
  H      -1.132595     -5.129244      3.818518
  H      -3.170458     -7.330278      4.422285
  H      -1.746853     -7.543327      3.351792
  H      -6.390780     -7.428451      2.781113
  H      -5.259059     -7.616207      4.123871
  H      -4.767154     -6.609434      1.271762
  H      -4.089254     -8.075739      2.033659
  H      -1.964264     -4.280894      0.137402
  H      -3.673995     -4.598780      0.385337
  H      -1.318701     -5.891070      1.846052
  H      -2.437627     -6.718033      0.730264
  C       1.272590     -1.167227     -2.985569
  C       0.202070     -0.974146     -1.913672
  C      -0.652058     -2.242290     -1.739957
  N      -1.728863     -2.205752     -0.758064
  C      -2.819611     -1.303996     -1.092957
  C      -3.979219     -1.532175     -0.135728
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  C      -2.325760     -2.195737      1.723999
  C      -1.698926     -1.662476      3.052815
  C      -1.501459     -0.131414      3.183646
  C      -0.260520      0.035693      4.068981
  C       0.654818     -1.088974      3.573361
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  C      -1.248251     -2.067800      0.613355
  C     -10.434005     -1.431084      7.638957
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  C      -7.856720     -6.483823      4.716698
  C      -7.237656     -5.306642      3.898971
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  C      -9.178166     -2.994747      1.810536
  C      -7.864987     -3.768651      1.717918
  C      -7.375635     -4.058286      4.809520
  C      -3.456425     -9.860356      9.000899
  C      -3.324731     -8.339995      8.943808
  C      -4.074234     -7.753911      7.735912
  N      -4.024981     -6.311270      7.549629
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  C      -4.555618     -4.037837      8.299505
  C      -4.106178     -3.768527      6.862515
  C      -2.789885     -4.464895      6.450030
  C      -1.587326     -3.509321      6.737825
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  H       1.887155     -0.264887     -3.115018
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  H       1.947905     -1.997120     -2.724575
  H      -0.447252     -0.125686     -2.183236
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  H      -2.516877     -0.230433     -1.041781
  H      -3.118099     -1.503879     -2.135146
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  H      -4.365292     -2.555487     -0.248273
  H      -3.236260     -0.243144      1.404382
  H      -4.370715     -1.479591      1.972589
  H      -2.391759     -1.993418      3.841295
  H      -1.298015      0.316272      2.197155
  H      -2.389828      0.377340      3.586016
  H       0.190112      1.036670      3.997120
  H      -0.521542     -0.136010      5.127694
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  H      -0.385752     -2.826178      4.346988
  H       0.032534     -3.003689      2.657582
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  H     -11.337329     -1.433177      8.265042
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  H      -6.370277     -6.252047      6.258644
  H      -7.732651     -7.271858      6.743186
  H      -7.554116     -7.454260      4.309048
  H      -8.949975     -6.449139      4.641935
  H      -7.806300     -5.959474      1.920132
  H     -10.044972     -6.131727      2.687381
  H      -9.818859     -4.790789      3.828514
  H     -10.317402     -4.542261      0.814835
  H     -11.221829     -3.773917      2.136151
  H      -9.210418     -2.430661      2.758108
  H      -9.296137     -2.276517      0.986970
  H      -5.857334     -4.631259      1.505808
  H      -7.759255     -4.104358      0.661337
  H      -6.417123     -3.935483      5.344607
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  H      -4.511842    -10.163203      9.084717
  H      -2.918030    -10.284226      9.860569
  H      -3.051503    -10.327547      8.089404
  H      -3.713394     -7.897923      9.875048
  H      -2.260050     -8.059177      8.884840
  H      -3.679669     -8.221596      6.815510
  H      -5.138575     -8.042766      7.800011
  H      -4.382626     -5.776468      9.593168
  H      -5.801047     -5.829382      8.521143
  H      -3.832080     -3.620123      9.010980
  H      -5.506155     -3.512763      8.483116
  H      -4.879201     -4.157921      6.188046
  H      -4.018969     -2.683758      6.696221
  H      -1.666464     -2.727378      5.960718
  H      -1.601139     -3.525766      8.914350
  H      -2.384784     -2.083293      8.239772
  H      -0.271116     -1.077068      7.676529
  H       0.199082     -1.952377      9.135491
  H       1.590798     -3.376573      7.806791
  H       1.166448     -2.385491      6.411133
  H      -0.105921     -4.981433      7.334870
  H       0.151210     -4.403414      5.679871
  H      -2.165939     -5.535057      8.259089
  H      -2.099011     -6.525166      6.804577
  N      -4.936535     -2.310423      4.156036
  H      -5.787767     -2.173548      3.565113
  H      -4.321994     -1.504991      4.014329
  H      -5.223368     -2.296711      5.136130
  N      -5.618098     -3.733705      1.960800
  N      -6.689531     -2.974440      2.047077
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960266743117
  N      -2.707816     -3.588383      2.016209
  C      -2.686025     -4.540117      0.916975
  C      -2.339434     -5.900881      1.485971
  N      -3.235017     -6.195886      2.643082
  C      -4.386899     -7.022955      2.234289
  C      -5.492062     -6.955033      3.273023
  N      -5.757768     -5.578661      3.684085
  Mo     -4.106649     -4.276839      3.417874
  N      -2.858945     -4.746584      4.995578
  C      -1.808787     -5.646679      4.511410
  C      -2.461797     -6.794211      3.760320
  H      -1.183596     -6.062022      5.314666
  H      -1.121107     -5.110884      3.827680
  H      -3.158212     -7.312269      4.433664
  H      -1.731615     -7.525240      3.367055
  H      -6.370847     -7.428683      2.799320
  H      -5.234900     -7.603863      4.140045
  H      -4.753781     -6.606120      1.282992
  H      -4.070374     -8.068078      2.048422
  H      -1.957292     -4.275110      0.138137
  H      -3.665792     -4.599274      0.386837
  H      -1.305587     -5.875346      1.854312
  H      -2.420472     -6.711671      0.741507
  C       1.260693     -1.173820     -3.008103
  C       0.195231     -0.976189     -1.931911
  C      -0.662224     -2.241396     -1.753436
  N      -1.735123     -2.200587     -0.767622
  C      -2.825012     -1.296623     -1.099311
  C      -3.981105     -1.520801     -0.137000
  C      -3.519005     -1.290600      1.299192
  C      -2.321450     -2.185546      1.717136
  C      -1.686726     -1.648840      3.041385
  C      -1.457742     -0.120756      3.152862
  C      -0.214893      0.032320      4.038509
  C       0.677308     -1.118004      3.560144
  C      -0.309974     -2.285210      3.405366
  C      -1.248660     -2.062445      0.601583
  C     -10.465585     -1.464145      7.645277
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  C      -7.835300     -6.489270      4.730641
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  C      -7.866859     -3.775432      1.729564
  C      -7.377523     -4.058918      4.817367
  C      -3.523375     -9.855799      8.959859
  C      -3.369438     -8.337060      8.912820
  C      -4.113723     -7.732161      7.711123
  N      -4.046183     -6.289052      7.536071
  C      -4.748445     -5.523791      8.557993
  C      -4.553923     -4.016661      8.300972
  C      -4.101441     -3.746264      6.866022
  C      -2.789560     -4.449664      6.453662
  C      -1.583435     -3.503836      6.755727
  C      -1.546217     -2.802556      8.128148
  C      -0.176541     -2.103249      8.153918
  C       0.745243     -2.976195      7.260456
  C      -0.158287     -4.088794      6.688966
  C      -2.714232     -5.752147      7.300790
  H       1.877604     -0.273622     -3.141198
  H       0.801683     -1.411830     -3.980461
  H       1.934436     -2.005608     -2.749123
  H      -0.452403     -0.125886     -2.199648
  H       0.677550     -0.714379     -0.976495
  H      -1.117762     -2.496938     -2.726858
  H       0.003529     -3.082418     -1.485549
  H      -2.519287     -0.223746     -1.051150
  H      -3.128516     -1.497258     -2.139919
  H      -4.805815     -0.831316     -0.376409
  H      -4.369125     -2.543532     -0.246677
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  H      -2.389527     -1.954156      3.831341
  H      -1.242110      0.309179      2.160861
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  H      -0.480561     -0.120756      5.098732
  H       1.118117     -0.854578      2.584009
  H       1.507499     -1.343465      4.245759
  H      -0.403641     -2.820289      4.357734
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  H      -0.476427     -2.834471      0.745211
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  H      -9.658438     -0.995618      8.229327
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  H     -11.367455     -1.476690      8.273344
  H      -9.922867     -3.508572      8.085119
  H     -10.895900     -3.330062      6.620378
  H      -7.968826     -2.454283      6.940652
  H      -8.967056     -2.169483      5.493600
  H      -9.102815     -5.477891      7.285523
  H      -7.539381     -4.696133      7.616829
  H      -6.344520     -6.241007      6.266832
  H      -7.695414     -7.272841      6.758186
  H      -7.527162     -7.457843      4.323335
  H      -8.929518     -6.462323      4.659396
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  H     -10.311468     -4.567205      0.824360
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  H      -9.220822     -2.456032      2.777757
  H      -9.310054     -2.292612      1.007298
  H      -5.860570     -4.637867      1.513940
  H      -7.765887     -4.110571      0.672317
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  H      -2.987711    -10.293778      9.814173
  H      -3.129266    -10.322286      8.043332
  H      -3.748817     -7.895737      9.848318
  H      -2.300923     -8.071734      8.852609
  H      -3.727692     -8.198458      6.786258
  H      -5.181814     -8.006608      7.776056
  H      -4.393271     -5.765328      9.584440
  H      -5.814928     -5.798310      8.514677
  H      -3.828270     -3.606698      9.014892
  H      -5.501024     -3.485196      8.485245
  H      -4.876622     -4.127536      6.190278
  H      -4.004644     -2.662080      6.702751
  H      -1.662382     -2.707955      5.992981
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  H      -2.377817     -2.101864      8.282332
  H      -0.263288     -1.089066      7.735151
  H       0.209235     -1.991910      9.176976
  H       1.597424     -3.390077      7.817955
  H       1.165655     -2.374331      6.441876
  H      -0.103580     -4.987281      7.325813
  H       0.151300     -4.383762      5.679497
  H      -2.177020     -5.542580      8.252573
  H      -2.122688     -6.520346      6.788259
  N      -4.935427     -2.295971      4.146160
  H      -5.760661     -2.141827      3.523072
  H      -4.307129     -1.495714      4.040181
  H      -5.261384     -2.290884      5.113842
  N      -5.620037     -3.736855      1.963116
  N      -6.691806     -2.978700      2.050741
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960375804668
  N      -2.714343     -3.590907      2.016879
  C      -2.697088     -4.538268      0.914102
  C      -2.352587     -5.901706      1.477753
  N      -3.246387     -6.199361      2.635824
  C      -4.399406     -7.024255      2.225727
  C      -5.505821     -6.957310      3.263480
  N      -5.768511     -5.581094      3.677366
  Mo     -4.114002     -4.281740      3.417624
  N      -2.866644     -4.759439      4.993301
  C      -1.816203     -5.655733      4.503343
  C      -2.469898     -6.801518      3.749147
  H      -1.187741     -6.073138      5.302378
  H      -1.131394     -5.116270      3.819760
  H      -3.163792     -7.322566      4.422455
  H      -1.740110     -7.530476      3.351034
  H      -6.384857     -7.427094      2.786997
  H      -5.251558     -7.609451      4.129014
  H      -4.765373     -6.605511      1.274855
  H      -4.083822     -8.069483      2.038067
  H      -1.969168     -4.271849      0.134794
  H      -3.678033     -4.593211      0.385466
  H      -1.317969     -5.879038      1.843994
  H      -2.436588     -6.709591      0.730508
  C       1.278103     -1.189770     -2.990433
  C       0.208890     -0.988181     -1.918791
  C      -0.652441     -2.251005     -1.742065
  N      -1.728633     -2.206074     -0.759995
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  C      -3.974658     -1.518108     -0.137817
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  C      -2.324125     -2.188457      1.721966
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  C      -0.239732      0.033574      4.058589
  C       0.665839     -1.100376      3.566143
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  C      -1.246682     -2.067375      0.610683
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  C      -7.852333     -6.485942      4.720301
  C      -7.237221     -5.306777      3.902640
  C      -8.073806     -5.112148      2.575329
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  C      -9.186133     -3.000322      1.818926
  C      -7.870603     -3.769006      1.723626
  C      -7.379433     -4.058664      4.813459
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  N      -4.028112     -6.308551      7.540930
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  C      -4.560024     -4.038299      8.299590
  C      -4.108939     -3.761673      6.864721
  C      -2.792743     -4.457570      6.450542
  C      -1.590610     -3.503274      6.741426
  C      -1.557382     -2.780751      8.103111
  C      -0.186635     -2.083562      8.123951
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  C      -0.165036     -4.088405      6.686550
  C      -2.703332     -5.754393      7.305929
  H       1.897757     -0.291236     -3.122100
  H       0.822448     -1.427857     -3.964344
  H       1.948757     -2.022880     -2.727692
  H      -0.435613     -0.136627     -2.190158
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  H      -1.105036     -2.506398     -2.716882
  H       0.010185     -3.093422     -1.470765
  H      -2.505261     -0.226884     -1.047875
  H      -3.114713     -1.499302     -2.137857
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  H      -3.221970     -0.231023      1.398952
  H      -4.364391     -1.457977      1.970703
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  H      -1.277268      0.316726      2.187453
  H      -2.367077      0.390062      3.577442
  H       0.218735      1.030674      3.983047
  H      -0.500626     -0.132967      5.118056
  H       1.101088     -0.821320      2.591847
  H       1.500435     -1.322159      4.247634
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  H     -10.893583     -3.305309      6.613510
  H      -7.959062     -2.457337      6.941912
  H      -8.952941     -2.158483      5.494367
  H      -9.118397     -5.470773      7.275828
  H      -7.549606     -4.701349      7.610632
  H      -6.364065     -6.251907      6.260036
  H      -7.723219     -7.275101      6.746003
  H      -7.548263     -7.455307      4.311393
  H      -8.945912     -6.453566      4.646999
  H      -7.804417     -5.960406      1.923741
  H     -10.041273     -6.141454      2.691347
  H      -9.819937     -4.801791      3.834713
  H     -10.322434     -4.549517      0.822575
  H     -11.226704     -3.785295      2.146389
  H      -9.218141     -2.437970      2.767617
  H      -9.307247     -2.280658      0.997008
  H      -5.861205     -4.627596      1.510034
  H      -7.765733     -4.103259      0.666476
  H      -6.420904     -3.931539      5.347363
  H      -7.537667     -3.162658      4.201809
  H      -4.517982    -10.161891      9.070441
  H      -2.924138    -10.286018      9.845611
  H      -3.058152    -10.327046      8.074457
  H      -3.716842     -7.898549      9.862821
  H      -2.263289     -8.060779      8.873153
  H      -3.680295     -8.217412      6.802706
  H      -5.140734     -8.041039      7.785464
  H      -4.398622     -5.784280      9.585032
  H      -5.809691     -5.828869      8.503306
  H      -3.836087     -3.626189      9.014034
  H      -5.509610     -3.512311      8.485832
  H      -4.882054     -4.144957      6.187203
  H      -4.019088     -2.676162      6.705168
  H      -1.668681     -2.719897      5.965581
  H      -1.612256     -3.521419      8.918197
  H      -2.387607     -2.075258      8.241915
  H      -0.270863     -1.075583      7.689940
  H       0.195571     -1.957372      9.146699
  H       1.585267     -3.379098      7.816261
  H       1.165658     -2.380961      6.423351
  H      -0.111900     -4.979029      7.334483
  H       0.147099     -4.395975      5.681955
  H      -2.171974     -5.530951      8.257934
  H      -2.099306     -6.517835      6.801683
  N      -4.939930     -2.304087      4.157344
  H      -5.777992     -2.155959      3.550574
  H      -4.317268     -1.501666      4.035445
  H      -5.246328     -2.296827      5.131599
  N      -5.623549     -3.729311      1.963977
  N      -6.696672     -2.972261      2.051898
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960375805739
  N      -2.705665     -3.598393      2.020090
  C      -2.689706     -4.545950      0.917227
  C      -2.348145     -5.910453      1.480434
  N      -3.243535     -6.207163      2.637522
  C      -4.398190     -7.029427      2.226388
  C      -5.505906     -6.959727      3.263004
  N      -5.766021     -5.582744      3.676191
  Mo     -4.107938     -4.287809      3.418233
  N      -2.863961     -4.768161      4.995210
  C      -1.814199     -5.665741      4.506123
  C      -2.468905     -6.810720      3.751527
  H      -1.186422     -6.083492      5.305353
  H      -1.128849     -5.126999      3.822468
  H      -3.164196     -7.330578      4.424249
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  H      -6.385404     -7.427731      2.785781
  H      -5.253944     -7.612224      4.128968
  H      -4.762146     -6.610045      1.275011
  H      -4.084861     -8.075468      2.039231
  H      -1.961023     -4.280874      0.138336
  H      -3.670571     -4.598465      0.388180
  H      -1.313803     -5.890050      1.847671
  H      -2.432956     -6.717697      0.732573
  C       1.260743     -1.165578     -2.997669
  C       0.193040     -0.973004     -1.922885
  C      -0.659018     -2.242044     -1.745714
  N      -1.732952     -2.205962     -0.760750
  C      -2.826104     -1.306150     -1.093133
  C      -3.982459     -1.535293     -0.132121
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  C      -2.322628     -2.194771      1.723124
  C      -1.693228     -1.659381      3.049732
  C      -1.489815     -0.128890      3.175946
  C      -0.251300      0.035307      4.064987
  C       0.661335     -1.093614      3.574006
  C      -0.304717     -2.276175      3.403314
  C      -1.248548     -2.066730      0.609166
  C     -10.440531     -1.436261      7.637787
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  C      -3.329163     -8.341940      8.942021
  C      -4.077541     -7.756038      7.733371
  N      -4.028385     -6.313366      7.547212
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  C      -4.109184     -3.769976      6.862828
  C      -2.791602     -4.465328      6.452311
  C      -1.590606     -3.509276      6.743220
  C      -1.555885     -2.788125      8.105456
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  C      -0.163938     -4.091932      6.687325
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  H       1.873694     -0.262511     -3.129703
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  H      -2.524788     -0.232090     -1.043995
  H      -3.127545     -1.507425     -2.134203
  H      -4.809307     -0.848423     -0.371887
  H      -4.367024     -2.559464     -0.242748
  H      -3.235853     -0.243548      1.403760
  H      -4.367458     -1.480180      1.977583
  H      -2.387951     -1.983892      3.839422
  H      -1.280363      0.314423      2.188633
  H      -2.377300      0.385233      3.573328
  H       0.203128      1.034576      3.993668
  H      -0.516372     -0.134912      5.122909
  H       1.099156     -0.810684      2.601973
  H       1.494247     -1.312926      4.258378
  H      -0.387284     -2.826656      4.347698
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  H      -7.952342     -2.453115      6.938384
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  H      -7.549514     -7.452339      4.308841
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  H      -7.802174     -5.956866      1.920415
  H     -10.041072     -6.129115      2.685254
  H      -9.815628     -4.789852      3.828580
  H     -10.315501     -4.535945      0.816211
  H     -11.217630     -3.769023      2.139820
  H      -9.204018     -2.428985      2.762218
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  H      -5.854211     -4.632804      1.509158
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  H      -2.264077     -8.062712      8.882915
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  H      -4.396819     -5.782854      9.590130
  H      -5.808880     -5.831018      8.509814
  H      -3.835594     -3.626262      9.011570
  H      -5.509356     -3.514444      8.483833
  H      -4.881354     -4.158302      6.186999
  H      -4.021571     -2.685060      6.697838
  H      -1.670469     -2.724896      5.968531
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  H      -0.281914     -1.079748      7.671726
  H       0.192893     -1.941415      9.137997
  H       1.580855     -3.381874      7.824578
  H       1.172448     -2.387244      6.425664
  H      -0.108915     -4.983306      7.334040
  H       0.148138     -4.397879      5.682262
  H      -2.171155     -5.536192      8.261906
  H      -2.100341     -6.525805      6.807477
  N      -4.932135     -2.308130      4.153707
  H      -5.774050     -2.164248      3.550929
  H      -4.311345     -1.505371      4.024429
  H      -5.233319     -2.296388      5.129529
  N      -5.613934     -3.733599      1.959705
  N      -6.684508     -2.972452      2.044465
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960387373467
  N      -2.710088     -3.594816      2.018305
  C      -2.693577     -4.542496      0.915604
  C      -2.350346     -5.906432      1.479112
  N      -3.244803     -6.203687      2.636696
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  C      -5.505711     -6.958412      3.263856
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  N      -2.865169     -4.764606      4.993947
  C      -1.815159     -5.661873      4.504821
  C      -2.469508     -6.806992      3.750270
  H      -1.187375     -6.079496      5.304189
  H      -1.129717     -5.123051      3.821309
  H      -3.164296     -7.327429      4.423104
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  H      -6.385013     -7.427601      2.787305
  H      -5.252222     -7.610559      4.129638
  H      -4.764168     -6.607521      1.275328
  H      -4.085059     -8.072572      2.038667
  H      -1.965427     -4.276884      0.136332
  H      -3.674589     -4.596323      0.387016
  H      -1.315864     -5.884684      1.845863
  H      -2.434598     -6.714054      0.731595
  C       1.270263     -1.177032     -2.993921
  C       0.201861     -0.980047     -1.920625
  C      -0.655450     -2.245665     -1.744363
  N      -1.730443     -2.205173     -0.760782
  C      -2.819471     -1.300941     -1.094555
  C      -3.977909     -1.525436     -0.134961
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  C      -2.322935     -2.191871      1.722294
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  C      -1.484896     -0.128376      3.175188
  C      -0.244415      0.033191      4.062135
  C       0.664520     -1.098492      3.570683
  C      -0.304883     -2.278623      3.402032
  C      -1.247178     -2.067458      0.609601
  C     -10.447523     -1.443638      7.641451
  C     -10.070760     -2.854197      7.191720
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  C      -7.458564     -6.363431      6.187289
  C      -7.852336     -6.484420      4.718902
  C      -7.235793     -5.305730      3.901566
  C      -8.071503     -5.109575      2.573529
  C      -9.612716     -5.130303      2.802709
  C     -10.222591     -4.110577      1.832192
  C      -9.180439     -2.994964      1.819544
  C      -7.866502     -3.766364      1.722072
  C      -7.376894     -4.057634      4.812489
  C      -3.463652     -9.860489      8.994384
  C      -3.328736     -8.340406      8.936372
  C      -4.076923     -7.753488      7.728114
  N      -4.028022     -6.310606      7.543438
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  C      -4.558886     -4.039420      8.299076
  C      -4.108560     -3.765549      6.863413
  C      -2.791799     -4.461389      6.451010
  C      -1.590409     -3.505958      6.741517
  C      -1.556254     -2.783355      8.103098
  C      -0.189174     -2.079637      8.116473
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  H       1.886952     -0.276419     -3.125309
  H       0.814037     -1.415322     -3.967517
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  H      -0.445551     -0.130098     -2.190106
  H       0.681425     -0.717975     -0.963869
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  H       0.010040     -3.086468     -1.475037
  H      -2.513820     -0.228115     -1.045041
  H      -3.120464     -1.500994     -2.135993
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  H      -4.366512     -2.547910     -0.246451
  H      -3.227716     -0.237117      1.401937
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  H      -2.370580      0.387650      3.574113
  H       0.212441      1.031234      3.989445
  H      -0.508041     -0.135709      5.120586
  H       1.101699     -0.817467      2.597808
  H       1.497849     -1.319581      4.253952
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  H     -11.351417     -1.449741      8.266694
  H      -9.926039     -3.494687      8.075762
  H     -10.892359     -3.301587      6.608438
  H      -7.957758     -2.455377      6.940628
  H      -8.949459     -2.155956      5.491710
  H      -9.119332     -5.467765      7.273444
  H      -7.549899     -4.700039      7.609370
  H      -6.365031     -6.251899      6.259875
  H      -7.725630     -7.273579      6.744783
  H      -7.548463     -7.454047      4.310326
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  H      -7.802652     -5.958043      1.921983
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  H      -9.818096     -4.798482      3.832188
  H     -10.320103     -4.539915      0.820695
  H     -11.222347     -3.776527      2.146302
  H      -9.210298     -2.434427      2.769388
  H      -9.300453     -2.273458      0.999084
  H      -5.858863     -4.631246      1.511324
  H      -7.764542     -4.100726      0.664692
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  H      -7.533267     -3.161173      4.200984
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  H      -2.925158    -10.285131      9.853618
  H      -3.060756    -10.328964      8.082653
  H      -3.716290     -7.897005      9.867461
  H      -2.263456     -8.061976      8.877179
  H      -3.681445     -8.220816      6.807841
  H      -5.141414     -8.042026      7.790914
  H      -4.400507     -5.784165      9.586772
  H      -5.810170     -5.828673      8.503246
  H      -3.833769     -3.627328      9.012257
  H      -5.507677     -3.512147      8.485756
  H      -4.881502     -4.150989      6.186944
  H      -4.019501     -2.680362      6.701172
  H      -1.669598     -2.722190      5.966134
  H      -1.603575     -3.524174      8.918567
  H      -2.389517     -2.082122      8.245059
  H      -0.279383     -1.077196      7.670845
  H       0.193364     -1.939870      9.137297
  H       1.580405     -3.381153      7.824665
  H       1.173485     -2.385758      6.425581
  H      -0.110201     -4.980926      7.333142
  H       0.147949     -4.396183      5.681368
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  H      -2.099251     -6.521650      6.805191
  N      -4.935798     -2.306523      4.155297
  H      -5.775472     -2.160368      3.549971
  H      -4.313894     -1.503990      4.030194
  H      -5.240233     -2.296865      5.130138
  N      -5.619134     -3.731931      1.961971
  N      -6.690463     -2.972222      2.048456
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960391324683
  N      -2.710448     -3.593280      2.018585
  C      -2.693984     -4.540787      0.915755
  C      -2.350136     -5.904716      1.478949
  N      -3.244100     -6.202525      2.636686
  C      -4.398379     -7.025771      2.226487
  C      -5.504929     -6.957643      3.264172
  N      -5.767135     -5.581197      3.677943
  Mo     -4.110694     -4.284513      3.418403
  N      -2.865320     -4.764396      4.993958
  C      -1.814622     -5.660835      4.504866
  C      -2.468313     -6.805999      3.749826
  H      -1.186763     -6.078246      5.304293
  H      -1.129269     -5.121525      3.821646
  H      -3.162686     -7.327283      4.422423
  H      -1.738728     -7.534917      3.351341
  H      -6.383995     -7.427230      2.787559
  H      -5.251251     -7.609666      4.129993
  H      -4.763708     -6.606531      1.275588
  H      -4.084391     -8.071525      2.038864
  H      -1.966116     -4.274873      0.136274
  H      -3.675162     -4.594842      0.387508
  H      -1.315581     -5.882490      1.845473
  H      -2.434194     -6.712252      0.731310
  C       1.270876     -1.181352     -2.994237
  C       0.202212     -0.982827     -1.921490
  C      -0.655301     -2.248098     -1.743737
  N      -1.730326     -2.206206     -0.760279
  C      -2.819111     -1.302064     -1.095106
  C      -3.977654     -1.525069     -0.135239
  C      -3.518853     -1.294972      1.302004
  C      -2.323050     -2.190486      1.722524
  C      -1.691878     -1.656835      3.049074
  C      -1.483993     -0.126874      3.174769
  C      -0.242983      0.034419      4.061101
  C       0.665062     -1.098140      3.570023
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  C      -1.247133     -2.066953      0.609917
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  C      -9.181219     -2.994309      1.822071
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  C      -7.376705     -4.057309      4.813174
  C      -3.462266     -9.861608      8.992976
  C      -3.326933     -8.341575      8.934438
  C      -4.075592     -7.754692      7.726467
  N      -4.027382     -6.311715      7.542294
  C      -4.747080     -5.549236      8.554791
  C      -4.558494     -4.041415      8.299918
  C      -4.109104     -3.766205      6.864242
  C      -2.792113     -4.461357      6.451147
  C      -1.591118     -3.505663      6.741790
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  H       1.887658     -0.280960     -3.126703
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  H      -0.445035     -0.133165     -2.192278
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  H      -2.513135     -0.229268     -1.046869
  H      -3.120168     -1.503255     -2.136305
  H      -4.801086     -0.834679     -0.376603
  H      -4.366707     -2.547447     -0.245872
  H      -3.226765     -0.235635      1.400380
  H      -4.364999     -1.465850      1.973910
  H      -2.387355     -1.978749      3.839062
  H      -1.275319      0.315991      2.187062
  H      -2.369254      0.389614      3.574014
  H       0.214398      1.032160      3.987769
  H      -0.506189     -0.133949      5.119765
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  H      -0.474789     -2.838395      0.756334
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  H      -9.928557     -3.494791      8.074674
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  H      -8.950063     -2.155902      5.491439
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  H      -6.365082     -6.251633      6.260680
  H      -7.725874     -7.273130      6.745297
  H      -7.547948     -7.453701      4.310911
  H      -8.945492     -6.451523      4.645043
  H      -7.802329     -5.957080      1.922242
  H     -10.040221     -6.136311      2.686431
  H      -9.818116     -4.799475      3.833161
  H     -10.320613     -4.538726      0.822052
  H     -11.222743     -3.776695      2.148538
  H      -9.210941     -2.434792      2.772545
  H      -9.301579     -2.271807      1.002527
  H      -5.859937     -4.631317      1.513592
  H      -7.766313     -4.099051      0.665704
  H      -6.418686     -3.932016      5.348315
  H      -7.532447     -3.160679      4.201778
  H      -4.518211    -10.161845      9.079306
  H      -2.923112    -10.286180      9.851832
  H      -3.060322    -10.330465      8.081018
  H      -3.713745     -7.897791      9.865659
  H      -2.261605     -8.063490      8.874551
  H      -3.680137     -8.221741      6.806037
  H      -5.139994     -8.043563      7.789337
  H      -4.403612     -5.787804      9.585769
  H      -5.811045     -5.830233      8.499484
  H      -3.832197     -3.631059      9.012942
  H      -5.506590     -3.513559      8.488452
  H      -4.882283     -4.151264      6.187845
  H      -4.020410     -2.680871      6.702828
  H      -1.670716     -2.721623      5.966692
  H      -1.605002     -3.524175      8.918940
  H      -2.390215     -2.081774      8.245316
  H      -0.280463     -1.077551      7.671251
  H       0.192751     -1.939762      9.137950
  H       1.578925     -3.382042      7.826206
  H       1.173728     -2.385132      6.427305
  H      -0.110649     -4.980890      7.331845
  H       0.147133     -4.394783      5.680648
  H      -2.171632     -5.532710      8.259893
  H      -2.098183     -6.521374      6.805084
  N      -4.935983     -2.306154      4.156007
  H      -5.774870     -2.159199      3.549741
  H      -4.313595     -1.503792      4.032237
  H      -5.241573     -2.296862      5.130499
  N      -5.619790     -3.731430      1.962821
  N      -6.690755     -2.971155      2.048987
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960395448742
  N      -2.711206     -3.593325      2.018620
  C      -2.695029     -4.540949      0.915836
  C      -2.350712     -5.904915      1.478893
  N      -3.244289     -6.203250      2.636644
  C      -4.399298     -7.025511      2.226449
  C      -5.505597     -6.957269      3.264352
  N      -5.768088     -5.580868      3.678350
  Mo     -4.110715     -4.285487      3.418852
  N      -2.866074     -4.766881      4.993687
  C      -1.815167     -5.663427      4.505238
  C      -2.468748     -6.807941      3.749262
  H      -1.188008     -6.081126      5.305005
  H      -1.128999     -5.124231      3.822680
  H      -3.163247     -7.329807      4.421270
  H      -1.739246     -7.536555      3.350111
  H      -6.384524     -7.427121      2.787685
  H      -5.251874     -7.609177      4.130247
  H      -4.764527     -6.605744      1.275756
  H      -4.086234     -8.071517      2.038509
  H      -1.967487     -4.275151      0.136030
  H      -3.676445     -4.595133      0.388094
  H      -1.316138     -5.882129      1.845360
  H      -2.434404     -6.712379      0.731113
  C       1.271610     -1.181810     -2.993918
  C       0.203487     -0.982869     -1.920722
  C      -0.656001     -2.246965     -1.744171
  N      -1.730500     -2.204476     -0.760215
  C      -2.818013     -1.298238     -1.093401
  C      -3.976517     -1.520985     -0.133404
  C      -3.516896     -1.293228      1.303899
  C      -2.322172     -2.190845      1.723059
  C      -1.689435     -1.658516      3.049314
  C      -1.479949     -0.128779      3.175406
  C      -0.237507      0.031128      4.060029
  C       0.668558     -1.102638      3.568053
  C      -0.303232     -2.281143      3.401340
  C      -1.246570     -2.067842      0.609953
  C     -10.457558     -1.447551      7.637062
  C     -10.077413     -2.857477      7.188230
  C      -8.812802     -2.857178      6.332046
  N      -8.479552     -4.157759      5.769340
  C      -8.175921     -5.152471      6.803880
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  C      -7.853448     -6.484050      4.718080
  C      -7.236561     -5.304923      3.901692
  C      -8.071796     -5.107226      2.573527
  C      -9.613094     -5.129779      2.802189
  C     -10.223861     -4.106319      1.835900
  C      -9.181934     -2.990801      1.827063
  C      -7.868193     -3.761638      1.724692
  C      -7.377889     -4.057257      4.813388
  C      -3.457060     -9.860068      8.999506
  C      -3.321910     -8.340174      8.937065
  C      -4.071088     -7.756214      7.728042
  N      -4.025045     -6.313405      7.542087
  C      -4.749311     -5.551340      8.551850
  C      -4.558197     -4.043721      8.299633
  C      -4.109743     -3.767361      6.863857
  C      -2.792297     -4.461847      6.450670
  C      -1.592219     -3.504674      6.739588
  C      -1.558126     -2.779921      8.100299
  C      -0.192455     -2.074067      8.109741
  C       0.737665     -2.969860      7.248291
  C      -0.165588     -4.087105      6.683696
  C      -2.701057     -5.756692      7.309059
  H       1.889671     -0.282174     -3.125576
  H       0.815064     -1.419678     -3.967472
  H       1.943942     -2.014116     -2.732912
  H      -0.442483     -0.131884     -2.190405
  H       0.683416     -0.721378     -0.963986
  H      -1.109855     -2.501738     -2.718570
  H       0.008097     -3.088945     -1.475079
  H      -2.510373     -0.225981     -1.043779
  H      -3.119809     -1.497502     -2.134757
  H      -4.799183     -0.829294     -0.373643
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  H      -4.363043     -1.463253      1.975996
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  H      -1.272074      0.314499      2.187713
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  H      -0.499343     -0.137119      5.119021
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  H       1.502480     -1.324953      4.250195
  H      -0.386652     -2.829792      4.346739
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  H      -0.475523     -2.840806      0.755112
  H      -0.739596     -1.090441      0.761479
  H      -9.650094     -0.987651      8.227491
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  H      -9.933912     -3.497751      8.072627
  H     -10.896772     -3.306186      6.602817
  H      -7.964310     -2.455549      6.942264
  H      -8.953093     -2.157036      5.491229
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  H      -7.551503     -4.700199      7.609034
  H      -6.366816     -6.253527      6.259929
  H      -7.728467     -7.274244      6.743544
  H      -7.549287     -7.453422      4.309117
  H      -8.946835     -6.451420      4.643431
  H      -7.802056     -5.954265      1.920482
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  H      -9.819172     -4.801738      3.832680
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  H     -11.223293     -3.773549      2.152358
  H      -9.210455     -2.434549      2.779518
  H      -9.302411     -2.265223      1.010232
  H      -5.862802     -4.632476      1.518878
  H      -7.770156     -4.094121      0.666355
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  H      -7.533160     -3.160258      4.202405
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  H      -2.916794    -10.282468      9.858739
  H      -3.056151    -10.331166      8.088242
  H      -3.708175     -7.894086      9.867426
  H      -2.256635     -8.062143      8.875953
  H      -3.674822     -8.224262      6.808439
  H      -5.135174     -8.046238      7.790979
  H      -4.411922     -5.791602      9.584413
  H      -5.813146     -5.831672      8.490610
  H      -3.830104     -3.635927      9.012300
  H      -5.505106     -3.514654      8.490749
  H      -4.883140     -4.151952      6.187534
  H      -4.021285     -2.681928      6.702979
  H      -1.672770     -2.721566      5.963637
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  H      -2.392321     -2.079661      8.241642
  H      -0.285907     -1.075679      7.655613
  H       0.190243     -1.925046      9.129172
  H       1.573721     -3.381550      7.830939
  H       1.178611     -2.386136      6.427451
  H      -0.111064     -4.979156      7.329502
  H       0.146293     -4.393017      5.678581
  H      -2.171278     -5.529785      8.261092
  H      -2.094704     -6.520443      6.808179
  N      -4.935163     -2.307318      4.157268
  H      -5.772531     -2.158236      3.549274
  H      -4.311409     -1.505603      4.036129
  H      -5.242984     -2.298588      5.131087
  N      -5.620986     -3.731241      1.964022
  N      -6.690572     -2.969036      2.049216
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960398792193
  N      -2.710272     -3.592831      2.019603
  C      -2.693862     -4.540425      0.916810
  C      -2.349226     -5.904440      1.479614
  N      -3.242977     -6.203443      2.636974
  C      -4.398078     -7.025289      2.226101
  C      -5.504862     -6.957229      3.263528
  N      -5.767328     -5.580884      3.677947
  Mo     -4.109593     -4.285985      3.419387
  N      -2.865755     -4.768143      4.994324
  C      -1.814500     -5.664461      4.506198
  C      -2.467698     -6.808700      3.749429
  H      -1.187775     -6.082349      5.306193
  H      -1.127906     -5.125107      3.824208
  H      -3.162356     -7.331061      4.420883
  H      -1.738005     -7.537016      3.350083
  H      -6.383582     -7.426763      2.786166
  H      -5.251737     -7.609513      4.129315
  H      -4.762810     -6.605153      1.275387
  H      -4.085253     -8.071356      2.037985
  H      -1.966341     -4.274429      0.137036
  H      -3.675301     -4.594711      0.389103
  H      -1.314773     -5.881261      1.846419
  H      -2.432345     -6.711714      0.731552
  C       1.269933     -1.182195     -2.994627
  C       0.201362     -0.983222     -1.921891
  C      -0.656309     -2.248303     -1.743552
  N      -1.730825     -2.205966     -0.759614
  C      -2.819596     -1.301659     -1.093961
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  C      -7.867372     -3.759284      1.725167
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  C      -4.109694     -3.768809      6.864746
  C      -2.792178     -4.463150      6.451417
  C      -1.592148     -3.505916      6.740290
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  H       1.886655     -0.281831     -3.127572
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  H       0.009008     -3.088944     -1.473280
  H      -2.513384     -0.228922     -1.045886
  H      -3.121215     -1.502807     -2.135004
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  H      -4.366819     -2.546950     -0.244213
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  H      -1.274113      0.316232      2.186740
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  H       0.218692      1.031818      3.984461
  H      -0.500684     -0.133338      5.118244
  H       1.103440     -0.820594      2.593577
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  H      -9.935340     -3.496995      8.070388
  H     -10.896343     -3.304876      6.599422
  H      -7.963997     -2.455354      6.942508
  H      -8.951035     -2.156107      5.490427
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  H      -7.551911     -4.700117      7.608596
  H      -6.367125     -6.253918      6.259815
  H      -7.729516     -7.274060      6.742584
  H      -7.548898     -7.452946      4.308270
  H      -8.946480     -6.450904      4.642080
  H      -7.801243     -5.952253      1.919474
  H     -10.039727     -6.133334      2.680294
  H      -9.818037     -4.801133      3.832679
  H     -10.321833     -4.526847      0.823385
  H     -11.222138     -3.770528      2.154373
  H      -9.208664     -2.433265      2.783123
  H      -9.300982     -2.260780      1.014188
  H      -5.863564     -4.634043      1.522698
  H      -7.771449     -4.091145      0.666460
  H      -6.418630     -3.933513      5.349668
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  H      -4.513522    -10.160899      9.089618
  H      -2.916878    -10.283765      9.859171
  H      -3.057741    -10.333170      8.088830
  H      -3.707050     -7.894906      9.867428
  H      -2.256236     -8.064242      8.875170
  H      -3.675119     -8.225739      6.808504
  H      -5.135218     -8.047486      7.791325
  H      -4.414370     -5.794117      9.584713
  H      -5.813908     -5.832675      8.489003
  H      -3.828460     -3.638976      9.013053
  H      -5.503799     -3.515623      8.493077
  H      -4.883270     -4.153496      6.188655
  H      -4.021381     -2.683389      6.703814
  H      -1.672887     -2.722687      5.964472
  H      -1.601061     -3.520748      8.917837
  H      -2.392508     -2.081957      8.243304
  H      -0.288006     -1.077314      7.649592
  H       0.189717     -1.919767      9.126712
  H       1.571702     -3.384201      7.835285
  H       1.182249     -2.389285      6.429694
  H      -0.111080     -4.980767      7.329479
  H       0.146473     -4.393753      5.679023
  H      -2.171201     -5.531164      8.261843
  H      -2.094586     -6.521846      6.809074
  N      -4.934115     -2.307915      4.157697
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  H      -4.310594     -1.506080      4.036128
  H      -5.241430     -2.298899      5.131664
  N      -5.620247     -3.731657      1.964520
  N      -6.688598     -2.967706      2.048310
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960403905609
  N      -2.709310     -3.593291      2.020701
  C      -2.692565     -4.540759      0.917840
  C      -2.347882     -5.904922      1.480366
  N      -3.242121     -6.204684      2.637128
  C      -4.397085     -7.026175      2.225054
  C      -5.504967     -6.958155      3.261354
  N      -5.767046     -5.581731      3.675967
  Mo     -4.108710     -4.287448      3.419595
  N      -2.866339     -4.770702      4.995157
  C      -1.814682     -5.666810      4.507471
  C      -2.467364     -6.810617      3.749532
  H      -1.188671     -6.085197      5.307739
  H      -1.127298     -5.127256      3.826443
  H      -3.162358     -7.333505      4.420234
  H      -1.737393     -7.538638      3.350151
  H      -6.383428     -7.426970      2.782789
  H      -5.253149     -7.610920      4.127132
  H      -4.760785     -6.605769      1.274075
  H      -4.084349     -8.072306      2.037026
  H      -1.964888     -4.274614      0.138272
  H      -3.673927     -4.595025      0.389948
  H      -1.313629     -5.881455      1.847736
  H      -2.430342     -6.711912      0.731910
  C       1.265246     -1.178715     -2.995998
  C       0.197235     -0.980858     -1.922507
  C      -0.658971     -2.246845     -1.743504
  N      -1.732749     -2.205644     -0.758699
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  C      -3.979876     -1.526505     -0.130719
  C      -3.519477     -1.295770      1.305873
  C      -2.322585     -2.190538      1.724835
  C      -1.690042     -1.656947      3.050766
  C      -1.481026     -0.126900      3.175607
  C      -0.236969      0.034411      4.057778
  C       0.668491     -1.099807      3.565793
  C      -0.303458     -2.278677      3.402677
  C      -1.248046     -2.065837      0.610855
  C     -10.457027     -1.445289      7.630781
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  C      -9.178837     -2.984283      1.830126
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  C      -7.374535     -4.057261      4.811905
  C      -3.455288     -9.860891      9.007268
  C      -3.319707     -8.341202      8.941557
  C      -4.069914     -7.759087      7.732312
  N      -4.024542     -6.316464      7.545043
  C      -4.750609     -5.554015      8.553156
  C      -4.557724     -4.046779      8.301559
  C      -4.110741     -3.771131      6.865121
  C      -2.792842     -4.465038      6.452179
  C      -1.593149     -3.507098      6.740140
  C      -1.558113     -2.781772      8.100547
  C      -0.194040     -2.073332      8.105983
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  C      -0.166240     -4.089031      6.683564
  C      -2.701005     -5.759211      7.311631
  H       1.880892     -0.277685     -3.129417
  H       0.808777     -1.419296     -3.968921
  H       1.939880     -2.008866     -2.734070
  H      -0.451045     -0.131911     -2.193081
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  H      -1.112946     -2.504129     -2.717184
  H       0.007445     -3.086777     -1.473730
  H      -2.517636     -0.229445     -1.044443
  H      -3.125111     -1.504076     -2.132920
  H      -4.804337     -0.837046     -0.371212
  H      -4.368008     -2.549292     -0.240878
  H      -3.227953     -0.236188      1.403655
  H      -4.364753     -1.466701      1.978919
  H      -2.384943     -1.977802      3.841662
  H      -1.275564      0.316172      2.187390
  H      -2.364837      0.389709      3.577874
  H       0.220982      1.031659      3.981435
  H      -0.496767     -0.132104      5.117588
  H       1.103148     -0.822189      2.590794
  H       1.503544     -1.320903      4.246961
  H      -0.385495     -2.824996      4.349485
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  H      -0.474576     -2.836287      0.756531
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  H      -9.650646     -0.986388      8.223464
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  H     -10.895314     -3.303079      6.594577
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  H      -7.551519     -4.700649      7.606346
  H      -6.367735     -6.255067      6.257625
  H      -7.731029     -7.274395      6.739649
  H      -7.549536     -7.452678      4.305400
  H      -8.946795     -6.450200      4.639182
  H      -7.800845     -5.950054      1.916465
  H     -10.039661     -6.130422      2.676601
  H      -9.817130     -4.799446      3.830330
  H     -10.320686     -4.521338      0.821406
  H     -11.220793     -3.766618      2.153469
  H      -9.207071     -2.431283      2.784455
  H      -9.298625     -2.255743      1.015829
  H      -5.864764     -4.636427      1.528205
  H      -7.772242     -4.087735      0.664601
  H      -6.416903     -3.935313      5.348533
  H      -7.526935     -3.159147      4.201820
  H      -4.511035    -10.160474      9.097995
  H      -2.913723    -10.281709      9.866461
  H      -3.056012    -10.334036      8.096341
  H      -3.704642     -7.893033      9.871487
  H      -2.254423     -8.063587      8.878640
  H      -3.674045     -8.228053      6.813002
  H      -5.133889     -8.049386      7.796046
  H      -4.416508     -5.794693      9.586748
  H      -5.814476     -5.833745      8.489423
  H      -3.827621     -3.640536      9.013093
  H      -5.503490     -3.516464      8.494752
  H      -4.884331     -4.157218      6.189772
  H      -4.023359     -2.685830      6.702935
  H      -1.674683     -2.724249      5.964047
  H      -1.600515     -3.521060      8.917713
  H      -2.393406     -2.083051      8.243177
  H      -0.289838     -1.078239      7.645152
  H       0.188613     -1.916740      9.124302
  H       1.569701     -3.385783      7.836750
  H       1.183777     -2.391307      6.430014
  H      -0.111594     -4.981871      7.328234
  H       0.145593     -4.393852      5.678110
  H      -2.170838     -5.531357      8.263236
  H      -2.094436     -6.523265      6.811513
  N      -4.932420     -2.309179      4.158168
  H      -5.769998     -2.159098      3.550853
  H      -4.308308     -1.507724      4.037053
  H      -5.239801     -2.300245      5.132115
  N      -5.619590     -3.732416      1.965145
  N      -6.686273     -2.966039      2.045834
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960410426486
  N      -2.708675     -3.593763      2.021789
  C      -2.690851     -4.541643      0.919364
  C      -2.345602     -5.905534      1.482275
  N      -3.240986     -6.206179      2.637945
  C      -4.395281     -7.027575      2.223838
  C      -5.504631     -6.960106      3.258637
  N      -5.765954     -5.583661      3.673826
  Mo     -4.107504     -4.289148      3.420153
  N      -2.866340     -4.772503      4.996690
  C      -1.814975     -5.669471      4.509773
  C      -2.467516     -6.812696      3.750818
  H      -1.190219     -6.088768      5.310551
  H      -1.126115     -5.130410      3.829854
  H      -3.163411     -7.335446      4.420719
  H      -1.737448     -7.540996      3.352117
  H      -6.382900     -7.427677      2.778489
  H      -5.254435     -7.613841      4.124130
  H      -4.757636     -6.606639      1.272598
  H      -4.082151     -8.073581      2.035662
  H      -1.962969     -4.275379      0.140067
  H      -3.672024     -4.596641      0.391129
  H      -1.311788     -5.881159      1.850840
  H      -2.426524     -6.712514      0.733628
  C       1.261436     -1.174228     -2.996394
  C       0.193595     -0.977797     -1.922476
  C      -0.661009     -2.244858     -1.743341
  N      -1.734425     -2.205206     -0.758035
  C      -2.825838     -1.303487     -1.090893
  C      -3.982042     -1.528948     -0.128731
  C      -3.521184     -1.297351      1.307600
  C      -2.323059     -2.190834      1.725855
  C      -1.690343     -1.656902      3.051668
  C      -1.481731     -0.126592      3.175886
  C      -0.234632      0.035854      4.053582
  C       0.669361     -1.098773      3.559889
  C      -0.303156     -2.277858      3.402301
  C      -1.249264     -2.064613      0.611315
  C     -10.455467     -1.445615      7.627811
  C     -10.076240     -2.855707      7.178793
  C      -8.808463     -2.856851      6.327218
  N      -8.476331     -4.157349      5.763768
  C      -8.176787     -5.153873      6.797727
  C      -7.462335     -6.365986      6.180584
  C      -7.853384     -6.484302      4.711088
  C      -7.234004     -5.305111      3.896790
  C      -8.068756     -5.102311      2.568272
  C      -9.610233     -5.124204      2.796697
  C     -10.220487     -4.095358      1.835932
  C      -9.177366     -2.980588      1.833139
  C      -7.865538     -3.753833      1.723123
  C      -7.372271     -4.058816      4.810556
  C      -3.458249     -9.859847      9.012183
  C      -3.322118     -8.340287      8.945373
  C      -4.071585     -7.758611      7.735461
  N      -4.025463     -6.316120      7.547578
  C      -4.751951     -5.552708      8.554431
  C      -4.557881     -4.045706      8.302292
  C      -4.110029     -3.770953      6.865894
  C      -2.792590     -4.465988      6.453583
  C      -1.592281     -3.508355      6.740546
  C      -1.556158     -2.782233      8.100398
  C      -0.192432     -2.073254      8.103792
  C       0.738760     -2.974606      7.249246
  C      -0.165535     -4.090899      6.684048
  C      -2.701718     -5.759571      7.314063
  H       1.875987     -0.272460     -3.129876
  H       0.804898     -1.415183     -3.969191
  H       1.937115     -2.003640     -2.734824
  H      -0.455811     -0.129583     -2.192634
  H       0.673464     -0.713284     -0.966534
  H      -1.115107     -2.502505     -2.716862
  H       0.006553     -3.084018     -1.473983
  H      -2.522058     -0.230035     -1.043357
  H      -3.128548     -1.505520     -2.131443
  H      -4.807648     -0.840764     -0.368916
  H      -4.368783     -2.552353     -0.238274
  H      -3.231122     -0.237356      1.405284
  H      -4.365981     -1.469381      1.981009
  H      -2.384643     -1.978459      3.842755
  H      -1.280554      0.316725      2.186973
  H      -2.364516      0.389282      3.581394
  H       0.222891      1.033086      3.974059
  H      -0.490704     -0.128785      5.114575
  H       1.100545     -0.822527      2.582973
  H       1.506715     -1.318675      4.238630
  H      -0.382731     -2.820869      4.351216
  H       0.028740     -3.015639      2.661825
  H      -0.474372     -2.833691      0.756718
  H      -0.746634     -1.084736      0.760624
  H      -9.649399     -0.987886      8.221827
  H     -10.643076     -0.791036      6.762843
  H     -11.363403     -1.452137      8.247163
  H      -9.937211     -3.497328      8.062929
  H     -10.894096     -3.302235      6.589623
  H      -7.961250     -2.458097      6.941054
  H      -8.944333     -2.155226      5.486932
  H      -9.122900     -5.468247      7.265416
  H      -7.552880     -4.703517      7.604326
  H      -6.368607     -6.257278      6.255527
  H      -7.732674     -7.276471      6.735917
  H      -7.549281     -7.453559      4.301773
  H      -8.946590     -6.450959      4.635119
  H      -7.799467     -5.947713      1.912881
  H     -10.038741     -6.128665      2.672014
  H      -9.815393     -4.800284      3.828636
  H     -10.319688     -4.514883      0.820531
  H     -11.219527     -3.763704      2.154817
  H      -9.205847     -2.430374      2.789012
  H      -9.297058     -2.249820      1.020831
  H      -5.867882     -4.640365      1.538093
  H      -7.774273     -4.082989      0.663376
  H      -6.414909     -3.939158      5.348123
  H      -7.522769     -3.159831      4.201218
  H      -4.514138    -10.158988      9.102720
  H      -2.917139    -10.280173      9.871903
  H      -3.058796    -10.333869      8.101788
  H      -3.707251     -7.891235      9.874802
  H      -2.256727     -8.063023      8.882637
  H      -3.675473     -8.228112      6.816528
  H      -5.135694     -8.048526      7.798806
  H      -4.419216     -5.792910      9.588633
  H      -5.815981     -5.831768      8.490093
  H      -3.827684     -3.639872      9.013941
  H      -5.503293     -3.514591      8.494959
  H      -4.883563     -4.156954      6.190395
  H      -4.021797     -2.685819      6.703202
  H      -1.673851     -2.726113      5.963880
  H      -1.597138     -3.521065      8.918053
  H      -2.391649     -2.083863      8.243653
  H      -0.288275     -1.079218      7.640713
  H       0.190276     -1.914241      9.121730
  H       1.570502     -3.387583      7.837174
  H       1.186585     -2.394919      6.429125
  H      -0.111205     -4.983464      7.329105
  H       0.146093     -4.396145      5.678680
  H      -2.171492     -5.531439      8.265601
  H      -2.095383     -6.524248      6.814616
  N      -4.930090     -2.310343      4.159060
  H      -5.767723     -2.158543      3.552526
  H      -4.305314     -1.509300      4.038496
  H      -5.237184     -2.301869      5.133093
  N      -5.619656     -3.733822      1.967490
  N      -6.683860     -2.964145      2.043591
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960416368372
  N      -2.709484     -3.593429      2.022349
  C      -2.690477     -4.541270      0.919990
  C      -2.344696     -5.905002      1.482953
  N      -3.241015     -6.206652      2.637743
  C      -4.393940     -7.029119      2.221862
  C      -5.504841     -6.962567      3.255039
  N      -5.765868     -5.586178      3.670546
  Mo     -4.108240     -4.290101      3.419826
  N      -2.868108     -4.773115      4.997553
  C      -1.816476     -5.669992      4.511017
  C      -2.468229     -6.813038      3.751117
  H      -1.192447     -6.089912      5.312097
  H      -1.126683     -5.130766      3.832169
  H      -3.164557     -7.336063      4.420388
  H      -1.737571     -7.541109      3.353043
  H      -6.382805     -7.429254      2.773424
  H      -5.256016     -7.617006      4.120361
  H      -4.755241     -6.608326      1.270173
  H      -4.079478     -8.074766      2.033972
  H      -1.962349     -4.274527      0.141092
  H      -3.671414     -4.596971      0.391335
  H      -1.311236     -5.879993      1.852457
  H      -2.424426     -6.711869      0.734052
  C       1.258814     -1.172477     -2.996178
  C       0.191685     -0.976337     -1.921489
  C      -0.663237     -2.243236     -1.742685
  N      -1.736151     -2.203910     -0.756796
  C      -2.827501     -1.301685     -1.088563
  C      -3.983090     -1.527027     -0.125659
  C      -3.521197     -1.296124      1.310500
  C      -2.323279     -2.190511      1.727421
  C      -1.689319     -1.657937      3.053374
  C      -1.478592     -0.127792      3.177587
  C      -0.227994      0.033453      4.050558
  C       0.672514     -1.103059      3.554802
  C      -0.302603     -2.280623      3.402711
  C      -1.250174     -2.063786      0.612336
  C     -10.451092     -1.446353      7.627319
  C     -10.073370     -2.856559      7.177380
  C      -8.805708     -2.858473      6.325654
  N      -8.475067     -4.159037      5.761333
  C      -8.176602     -5.156563      6.794802
  C      -7.462209     -6.368434      6.177226
  C      -7.853394     -6.486316      4.707642
  C      -7.233825     -5.306910      3.893802
  C      -8.068862     -5.102400      2.565291
  C      -9.610368     -5.124832      2.793946
  C     -10.221080     -4.094330      1.835363
  C      -9.177967     -2.979355      1.834529
  C      -7.866607     -3.752785      1.721520
  C      -7.370811     -4.061073      4.808249
  C      -3.458167     -9.857626      9.016338
  C      -3.323002     -8.338017      8.949006
  C      -4.072453     -7.757195      7.738658
  N      -4.026540     -6.314818      7.550074
  C      -4.752552     -5.550727      8.556571
  C      -4.559058     -4.043816      8.302846
  C      -4.111333     -3.770259      6.866253
  C      -2.794016     -4.465570      6.454134
  C      -1.593573     -3.507762      6.740048
  C      -1.557384     -2.780576      8.099197
  C      -0.193067     -2.072504      8.103174
  C       0.737309     -2.973387      7.247286
  C      -0.166914     -4.090587      6.683984
  C      -2.702942     -5.758372      7.315601
  H       1.873685     -0.270887     -3.129386
  H       0.801613     -1.412570     -3.968875
  H       1.934270     -2.002363     -2.735537
  H      -0.457587     -0.127713     -2.190670
  H       0.672255     -0.712645     -0.965673
  H      -1.117954     -2.500125     -2.716114
  H       0.004209     -3.082757     -1.474177
  H      -2.523308     -0.228357     -1.040795
  H      -3.130998     -1.503229     -2.128978
  H      -4.808639     -0.838511     -0.365047
  H      -4.370294     -2.550255     -0.235110
  H      -3.230665     -0.236291      1.408518
  H      -4.365731     -1.468018      1.984252
  H      -2.383551     -1.979382      3.844467
  H      -1.281197      0.315755      2.188069
  H      -2.359392      0.388687      3.586680
  H       0.230794      1.029889      3.968095
  H      -0.480530     -0.129189      5.112680
  H       1.100525     -0.828577      2.576010
  H       1.511908     -1.323388      4.230891
  H      -0.380653     -2.820000      4.353867
  H       0.025420     -3.021780      2.663863
  H      -0.474930     -2.832653      0.757016
  H      -0.747705     -1.083833      0.761556
  H      -9.644437     -0.989815      8.221454
  H     -10.638187     -0.791076      6.762771
  H     -11.358914     -1.452344      8.246840
  H      -9.934866     -3.498890      8.061079
  H     -10.891738     -3.301881      6.588005
  H      -7.957968     -2.461133      6.939645
  H      -8.940931     -2.156163      5.485839
  H      -9.123167     -5.470876      7.261615
  H      -7.552878     -4.707097      7.602017
  H      -6.368525     -6.259476      6.252305
  H      -7.732468     -7.279115      6.732257
  H      -7.549232     -7.455421      4.298028
  H      -8.946614     -6.453012      4.631873
  H      -7.799593     -5.947144      1.909017
  H     -10.038891     -6.129101      2.667673
  H      -9.815096     -4.802758      3.826528
  H     -10.320419     -4.511856      0.819150
  H     -11.220079     -3.763465      2.155181
  H      -9.206639     -2.431320      2.791601
  H      -9.298132     -2.246928      1.023787
  H      -5.871960     -4.643861      1.546887
  H      -7.777072     -4.080109      0.661187
  H      -6.413302     -3.942903      5.345909
  H      -7.520510     -3.161574      4.199446
  H      -4.513916    -10.157421      9.106403
  H      -2.917251    -10.277255      9.876520
  H      -3.057936    -10.331766      8.106349
  H      -3.708781     -7.888843      9.878113
  H      -2.257783     -8.060039      8.886518
  H      -3.676090     -8.226952      6.819974
  H      -5.136469     -8.047438      7.802032
  H      -4.419046     -5.789598      9.590870
  H      -5.816637     -5.829970      8.493329
  H      -3.828960     -3.637033      9.014106
  H      -5.504641     -3.512748      8.494805
  H      -4.884789     -4.157094      6.191104
  H      -4.023343     -2.685229      6.702772
  H      -1.675197     -2.726448      5.962444
  H      -1.599173     -3.518733      8.917418
  H      -2.392491     -2.081577      8.241706
  H      -0.287616     -1.077452      7.642038
  H       0.189626     -1.915727      9.121473
  H       1.570996     -3.385099      7.833408
  H       1.183258     -2.393963      6.425902
  H      -0.112562     -4.982308      7.330198
  H       0.144561     -4.396908      5.678872
  H      -2.172569     -5.529344      8.266856
  H      -2.096535     -6.523298      6.816618
  N      -4.930153     -2.310922      4.159549
  H      -5.766806     -2.156354      3.552748
  H      -4.304140     -1.510521      4.041190
  H      -5.238341     -2.303842      5.133257
  N      -5.621593     -3.735064      1.969702
  N      -6.683975     -2.963090      2.040946
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960420694355
  N      -2.710176     -3.593213      2.022505
  C      -2.690437     -4.541571      0.920629
  C      -2.343972     -5.904850      1.484186
  N      -3.240992     -6.206761      2.638459
  C      -4.392702     -7.030517      2.221740
  C      -5.504311     -6.964741      3.254141
  N      -5.765082     -5.588453      3.669899
  Mo     -4.108663     -4.290307      3.420107
  N      -2.868385     -4.772055      4.998462
  C      -1.817011     -5.669324      4.512120
  C      -2.468617     -6.812534      3.752470
  H      -1.193176     -6.089408      5.313323
  H      -1.126789     -5.130429      3.833428
  H      -3.165190     -7.335178      4.421804
  H      -1.737742     -7.540793      3.355114
  H      -6.382241     -7.430943      2.771971
  H      -5.256015     -7.619566      4.119328
  H      -4.753689     -6.610034      1.269802
  H      -4.076894     -8.075781      2.034109
  H      -1.962444     -4.274760      0.141654
  H      -3.671379     -4.598272      0.392052
  H      -1.310773     -5.879159      1.854353
  H      -2.422769     -6.712014      0.735519
  C       1.258914     -1.171820     -2.995479
  C       0.191587     -0.975757     -1.920960
  C      -0.663431     -2.242643     -1.742557
  N      -1.736515     -2.203529     -0.756842
  C      -2.827782     -1.301187     -1.088547
  C      -3.983349     -1.526479     -0.125634
  C      -3.521479     -1.295590      1.310581
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  C      -1.689366     -1.657801      3.053254
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  C      -0.302586     -2.280804      3.401683
  C      -1.250722     -2.063446      0.612378
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  C      -7.853178     -6.488069      4.706252
  C      -7.233153     -5.308670      3.892811
  C      -8.068442     -5.103272      2.564396
  C      -9.609863     -5.126709      2.793856
  C     -10.221665     -4.094849      1.837484
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  C      -7.867536     -3.752761      1.721642
  C      -7.369797     -4.063001      4.807363
  C      -3.460717     -9.857383      9.014079
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  C      -4.074018     -7.755932      7.737697
  N      -4.027756     -6.313445      7.549992
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  C      -4.111267     -3.768437      6.866939
  C      -2.794222     -4.464320      6.454959
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  H       1.873946     -0.270294     -3.128375
  H       0.801890     -1.411666     -3.968319
  H       1.934191     -2.001849     -2.734831
  H      -0.457574     -0.127044     -2.190117
  H       0.672014     -0.712251     -0.965022
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  H      -3.131279     -1.502599     -2.128988
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  H      -9.933390     -3.499349      8.059952
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  H      -8.938807     -2.156835      5.484856
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  H      -7.555243     -4.709623      7.601528
  H      -6.369197     -6.260578      6.251890
  H      -7.733024     -7.280806      6.730968
  H      -7.548665     -7.457126      4.296797
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  H      -9.206671     -2.433374      2.795587
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  H      -3.058729    -10.330427      8.104298
  H      -3.713335     -7.889602      9.877525
  H      -2.260790     -8.059238      8.887853
  H      -3.676655     -8.225048      6.819128
  H      -5.138092     -8.046235      7.799800
  H      -4.419653     -5.788260      9.590801
  H      -5.817832     -5.828605      8.493674
  H      -3.831330     -3.635324      9.015111
  H      -5.506359     -3.511614      8.493553
  H      -4.884331     -4.154350      6.190880
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  H      -1.674803     -2.725656      5.963397
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  H      -2.391783     -2.079537      8.241871
  H      -0.284388     -1.075985      7.653008
  H       0.191175     -1.924727      9.126838
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  H       1.177270     -2.389992      6.423481
  H      -0.112266     -4.980748      7.332548
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  N      -4.929235     -2.310415      4.160608
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  H      -4.301815     -1.510823      4.044245
  H      -5.238257     -2.304619      5.134080
  N      -5.623188     -3.735890      1.973116
  N      -6.684455     -2.962493      2.040304
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960423830938
  N      -2.710663     -3.592643      2.022856
  C      -2.690658     -4.540726      0.920754
  C      -2.344133     -5.904080      1.484060
  N      -3.241381     -6.206355      2.638180
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  Mo     -4.109921     -4.290145      3.419714
  N      -2.869588     -4.770839      4.998378
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  C      -2.468970     -6.811402      3.752674
  H      -1.193819     -6.087456      5.313375
  H      -1.128017     -5.128594      3.833291
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  H      -6.381884     -7.432619      2.771116
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  H      -4.075220     -8.076262      2.033788
  H      -1.962608     -4.273545      0.141916
  H      -3.671614     -4.597539      0.392222
  H      -1.310977     -5.878641      1.854343
  H      -2.422865     -6.711082      0.735225
  C       1.260192     -1.174961     -2.994813
  C       0.192983     -0.977873     -1.920351
  C      -0.662812     -2.244178     -1.741593
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  C      -1.594496     -3.504911      6.740390
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  H       1.875793     -0.273868     -3.128019
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  H      -0.455633     -0.128838     -2.189800
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  H      -2.521347     -0.227932     -1.040471
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  H      -2.382513     -1.980036      3.845215
  H      -1.283192      0.315690      2.188676
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  H      -6.368825     -6.261805      6.250891
  H      -7.732041     -7.282754      6.730105
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  H      -7.799835     -5.948177      1.906478
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  H      -9.814273     -4.809571      3.827548
  H     -10.324545     -4.508563      0.822304
  H     -11.221245     -3.764117      2.162541
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  H      -7.782324     -4.077979      0.660191
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  H      -4.517646    -10.157695      9.096386
  H      -2.923076    -10.278224      9.870642
  H      -3.058818    -10.328627      8.099910
  H      -3.715833     -7.890375      9.875713
  H      -2.262456     -8.058247      8.886858
  H      -3.677423     -8.222741      6.816999
  H      -5.139203     -8.044569      7.797402
  H      -4.418307     -5.786706      9.590098
  H      -5.818021     -5.827717      8.494378
  H      -3.833776     -3.632736      9.015068
  H      -5.508412     -3.510775      8.492048
  H      -4.884968     -4.152115      6.190264
  H      -4.023177     -2.681384      6.704781
  H      -1.675410     -2.724296      5.961934
  H      -1.604316     -3.514516      8.917591
  H      -2.393434     -2.076320      8.239603
  H      -0.285683     -1.072275      7.654070
  H       0.190001     -1.923739      9.126237
  H       1.575255     -3.375628      7.823585
  H       1.172114     -2.385735      6.419578
  H      -0.112802     -4.977146      7.334862
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  H      -2.097219     -6.519781      6.817620
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  H      -4.302930     -1.510584      4.045163
  H      -5.241555     -2.305054      5.132684
  N      -5.624795     -3.737487      1.974172
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143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960425427805
  N      -2.710585     -3.593053      2.022587
  C      -2.691016     -4.541336      0.920571
  C      -2.344554     -5.904669      1.483881
  N      -3.241517     -6.206670      2.638294
  C      -4.392006     -7.032501      2.222033
  C      -5.503786     -6.967402      3.254311
  N      -5.765095     -5.591360      3.670087
  Mo     -4.110439     -4.290350      3.419514
  N      -2.869587     -4.770373      4.997943
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  C      -2.468447     -6.810928      3.752848
  H      -1.192616     -6.085566      5.312439
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  H      -4.074511     -8.077351      2.035150
  H      -1.963245     -4.274309      0.141430
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  H      -1.311278     -5.879499      1.853838
  H      -2.423691     -6.711760      0.735194
  C       1.262026     -1.174953     -2.994234
  C       0.194208     -0.977959     -1.920354
  C      -0.661423     -2.244407     -1.741893
  N      -1.735049     -2.204438     -0.756853
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  C      -3.981793     -1.525728     -0.127188
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  C      -2.323757     -2.190221      1.727123
  C      -1.689259     -1.657542      3.052827
  C      -1.477701     -0.127552      3.176620
  C      -0.224573      0.033499      4.046079
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  N      -4.028688     -6.312384      7.547583
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  C      -1.595545     -3.504508      6.741182
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  H       1.877476     -0.273732     -3.127277
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  H      -2.520529     -0.228345     -1.041661
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  H      -4.806694     -0.836619     -0.367021
  H      -4.369728     -2.548602     -0.236806
  H      -3.228790     -0.235260      1.406910
  H      -4.365702     -1.465349      1.982340
  H      -2.383528     -1.978638      3.844013
  H      -1.282595      0.315562      2.186384
  H      -2.357192      0.389475      3.587786
  H       0.234715      1.029552      3.962391
  H      -0.474458     -0.129272      5.108833
  H       1.098846     -0.830874      2.568405
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  H     -10.887674     -3.298999      6.591561
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  H      -8.936401     -2.157417      5.485035
  H      -9.126492     -5.474726      7.256424
  H      -7.556668     -4.712338      7.602018
  H      -6.369386     -6.261539      6.251569
  H      -7.732615     -7.282268      6.731025
  H      -7.548601     -7.459260      4.296628
  H      -8.946626     -6.457544      4.629697
  H      -7.800794     -5.949316      1.907011
  H     -10.039047     -6.132163      2.665245
  H      -9.813532     -4.811013      3.829623
  H     -10.327737     -4.506553      0.825669
  H     -11.220948     -3.762099      2.168183
  H      -9.201846     -2.435885      2.802046
  H      -9.302911     -2.243862      1.035447
  H      -5.877217     -4.650684      1.560904
  H      -7.783789     -4.078931      0.659956
  H      -6.412048     -3.948057      5.344975
  H      -7.517476     -3.165323      4.197863
  H      -4.516326    -10.159521      9.092634
  H      -2.922186    -10.279739      9.867766
  H      -3.056794    -10.328877      8.096891
  H      -3.716163     -7.892321      9.874093
  H      -2.262175     -8.058703      8.885836
  H      -3.676426     -8.223131      6.815225
  H      -5.138544     -8.045759      7.795318
  H      -4.417351     -5.788168      9.589019
  H      -5.817870     -5.829671      8.493964
  H      -3.835421     -3.633251      9.014776
  H      -5.509935     -3.512694      8.491145
  H      -4.885541     -4.153081      6.189635
  H      -4.024842     -2.681990      6.704699
  H      -1.676231     -2.723418      5.963167
  H      -1.608206     -3.515478      8.918367
  H      -2.395854     -2.076582      8.240278
  H      -0.287834     -1.071560      7.660932
  H       0.187673     -1.927670      9.130460
  H       1.574897     -3.372929      7.823192
  H       1.167406     -2.381962      6.420772
  H      -0.113192     -4.975725      7.336543
  H       0.142779     -4.396307      5.682700
  H      -2.177087     -5.525598      8.267895
  H      -2.096583     -6.519447      6.817225
  N      -4.931092     -2.309951      4.159497
  H      -5.765553     -2.151264      3.551086
  H      -4.302667     -1.510821      4.045710
  H      -5.242260     -2.305404      5.132321
  N      -5.625040     -3.738894      1.975066
  N      -6.685089     -2.963826      2.037461
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960427160189
  N      -2.709457     -3.593683      2.022901
  C      -2.690680     -4.541888      0.920780
  C      -2.344658     -5.905435      1.483904
  N      -3.241264     -6.207131      2.638684
  C      -4.392016     -7.032977      2.223166
  C      -5.503465     -6.967564      3.255864
  N      -5.764947     -5.591479      3.671337
  Mo     -4.110160     -4.290541      3.419572
  N      -2.868995     -4.770144      4.997651
  C      -1.816859     -5.666298      4.511160
  C      -2.467830     -6.811023      3.753250
  H      -1.191413     -6.084546      5.312103
  H      -1.128628     -5.126848      3.830851
  H      -3.163660     -7.333489      4.423470
  H      -1.736465     -7.538964      3.356218
  H      -6.381203     -7.434738      2.774339
  H      -5.254326     -7.621810      4.121320
  H      -4.753762     -6.613821      1.270932
  H      -4.074713     -8.077935      2.036496
  H      -1.963016     -4.275096      0.141435
  H      -3.672094     -4.598316      0.393070
  H      -1.311208     -5.880828      1.853415
  H      -2.424432     -6.712416      0.735170
  C       1.261808     -1.175743     -2.995147
  C       0.193911     -0.978850     -1.921333
  C      -0.660892     -2.245750     -1.742116
  N      -1.734517     -2.205868     -0.757084
  C      -2.825468     -1.303681     -1.090167
  C      -3.981748     -1.528186     -0.127917
  C      -3.520661     -1.296397      1.308415
  C      -2.323386     -2.190833      1.726851
  C      -1.689602     -1.657447      3.052534
  C      -1.479946     -0.127305      3.176869
  C      -0.228886      0.034674      4.049085
  C       0.672011     -1.101252      3.552478
  C      -0.302515     -2.279347      3.401923
  C      -1.249561     -2.065162      0.612355
  C     -10.439435     -1.443757      7.630460
  C     -10.066290     -2.854811      7.179287
  C      -8.800812     -2.859541      6.324507
  N      -8.474127     -4.160895      5.759438
  C      -8.178721     -5.159809      6.792651
  C      -7.463345     -6.371291      6.175711
  C      -7.853717     -6.489779      4.706045
  C      -7.233177     -5.310580      3.892570
  C      -8.068874     -5.104283      2.563961
  C      -9.610331     -5.127078      2.795470
  C     -10.223331     -4.090388      1.844932
  C      -9.177647     -2.978250      1.843833
  C      -7.868561     -3.753557      1.720800
  C      -7.369112     -4.064698      4.806780
  C      -3.460353     -9.859132      9.004713
  C      -3.326939     -8.339058      8.942996
  C      -4.074049     -7.755702      7.732335
  N      -4.028303     -6.312960      7.546202
  C      -4.754031     -5.550559      8.554541
  C      -4.563261     -4.042942      8.301200
  C      -4.112853     -3.767599      6.865886
  C      -2.795224     -4.462355      6.453937
  C      -1.595419     -3.504240      6.741282
  C      -1.562266     -2.777175      8.100665
  C      -0.196149     -2.071582      8.111328
  C       0.733159     -2.964620      7.246032
  C      -0.168386     -4.085736      6.687111
  C      -2.704197     -5.755588      7.314707
  H       1.876586     -0.274154     -3.128803
  H       0.805281     -1.416836     -3.967914
  H       1.937278     -2.005239     -2.733303
  H      -0.455291     -0.130570     -2.191753
  H       0.673798     -0.714183     -0.965446
  H      -1.114851     -2.503475     -2.715694
  H       0.006512     -3.084957     -1.472551
  H      -2.521141     -0.230359     -1.042871
  H      -3.128212     -1.505719     -2.130716
  H      -4.806993     -0.839595     -0.368068
  H      -4.369118     -2.551319     -0.237281
  H      -3.229497     -0.236605      1.405489
  H      -4.365735     -1.467045      1.981652
  H      -2.383572     -1.979270      3.843734
  H      -1.282832      0.316113      2.187148
  H      -2.360805      0.388860      3.586160
  H       0.229181      1.031454      3.967572
  H      -0.480687     -0.129941      5.111127
  H       1.098774     -0.826359      2.573216
  H       1.512480     -1.321084      4.227397
  H      -0.380283     -2.817190      4.354021
  H       0.025663     -3.021538      2.664207
  H      -0.474747     -2.834272      0.757931
  H      -0.747029     -1.085198      0.761464
  H      -9.630033     -0.989218      8.222381
  H     -10.627396     -0.787912      6.766528
  H     -11.345575     -1.447638      8.252454
  H      -9.926977     -3.497585      8.062541
  H     -10.887443     -3.298026      6.592197
  H      -7.950786     -2.464063      6.936565
  H      -8.936179     -2.156836      5.485027
  H      -9.126850     -5.474010      7.256432
  H      -7.556903     -4.712013      7.602188
  H      -6.369809     -6.261420      6.251757
  H      -7.733299     -7.281792      6.731243
  H      -7.549015     -7.458857      4.296760
  H      -8.946927     -6.457028      4.629671
  H      -7.800766     -5.949052      1.907190
  H     -10.039311     -6.130510      2.664300
  H      -9.812933     -4.810770      3.830183
  H     -10.329248     -4.502534      0.827185
  H     -11.219715     -3.758349      2.171591
  H      -9.197694     -2.434941      2.803824
  H      -9.301538     -2.241501      1.037564
  H      -5.876556     -4.652430      1.561620
  H      -7.784536     -4.078970      0.659577
  H      -6.412058     -3.947611      5.345168
  H      -7.517250     -3.164941      4.197968
  H      -4.516034    -10.160579      9.090021
  H      -2.922040    -10.281085      9.865389
  H      -3.056301    -10.329487      8.094459
  H      -3.716050     -7.893681      9.872507
  H      -2.261874     -8.059678      8.884452
  H      -3.675756     -8.223599      6.813560
  H      -5.138068     -8.046414      7.793412
  H      -4.417488     -5.789600      9.587669
  H      -5.817773     -5.831078      8.492227
  H      -3.836500     -3.634009      9.014631
  H      -5.510702     -3.514026      8.490133
  H      -4.885086     -4.153197      6.188835
  H      -4.024741     -2.682229      6.704575
  H      -1.676075     -2.722981      5.963427
  H      -1.608900     -3.515440      8.918490
  H      -2.396452     -2.076560      8.240246
  H      -0.288858     -1.071050      7.661887
  H       0.186987     -1.927287      9.131287
  H       1.574743     -3.371761      7.823894
  H       1.166804     -2.380329      6.421567
  H      -0.112547     -4.974901      7.336810
  H       0.143458     -4.395319      5.683096
  H      -2.177048     -5.526184      8.267563
  H      -2.095912     -6.519475      6.816486
  N      -4.930722     -2.309822      4.158342
  H      -5.765131     -2.151870      3.549542
  H      -4.302410     -1.510649      4.044251
  H      -5.242120     -2.304763      5.131089
  N      -5.624137     -3.740371      1.975016
  N      -6.683577     -2.964261      2.035905
143
Coordinates from ORCA-job /scratch/magstr/orcajob__5661798-Qx4Y/orca E -6401.960429111849
  N      -2.708844     -3.594233      2.022873
  C      -2.690425     -4.542392      0.920709
  C      -2.344620     -5.906065      1.483701
  N      -3.240936     -6.207689      2.638695
  C      -4.391878     -7.033444      2.223525
  C      -5.503360     -6.967773      3.256234
  N      -5.765027     -5.591628      3.671499
  Mo     -4.109945     -4.291010      3.419410
  N      -2.868716     -4.770614      4.997304
  C      -1.816300     -5.666434      4.510763
  C      -2.467193     -6.811420      3.753115
  H      -1.190505     -6.084274      5.311614
  H      -1.128629     -5.126751      3.830072
  H      -3.162831     -7.333934      4.423499
  H      -1.735834     -7.539310      3.355987
  H      -6.380932     -7.435187      2.774656
  H      -5.254225     -7.621854      4.121811
  H      -4.753604     -6.614510      1.271189
  H      -4.074802     -8.078531      2.037094
  H      -1.962747     -4.275736      0.141327
  H      -3.671900     -4.598564      0.393083
  H      -1.311060     -5.881685      1.852926
  H      -2.424708     -6.712948      0.734889
  C       1.261614     -1.175316     -2.995594
  C       0.193703     -0.978729     -1.921743
  C      -0.660708     -2.245885     -1.742439
  N      -1.734348     -2.206252     -0.757409
  C      -2.825586     -1.304450     -1.090587
  C      -3.981878     -1.529450     -0.128469
  C      -3.520955     -1.297419      1.307851
  C      -2.323307     -2.191306      1.726545
  C      -1.689983     -1.657295      3.052140
  C      -1.481115     -0.127041      3.176160
  C      -0.231658      0.035574      4.050506
  C       0.670747     -1.099650      3.555080
  C      -0.302696     -2.278415      3.402186
  C      -1.249453     -2.065473      0.612050
  C     -10.438850     -1.442980      7.630208
  C     -10.065994     -2.854101      7.179022
  C      -8.800321     -2.859123      6.324519
  N      -8.473880     -4.160484      5.759393
  C      -8.178819     -5.159577      6.792493
  C      -7.463757     -6.371217      6.175490
  C      -7.854109     -6.489524      4.705791
  C      -7.233214     -5.310402      3.892452
  C      -8.068885     -5.103653      2.563762
  C      -9.610362     -5.125402      2.795589
  C     -10.223060     -4.087688      1.845960
  C      -9.176377     -2.976564      1.844392
  C      -7.868000     -3.753053      1.720322
  C      -7.368801     -4.064566      4.806816
  C      -3.459324     -9.859317      9.005774
  C      -3.325933     -8.339271      8.943363
  C      -4.073542     -7.756406      7.732791
  N      -4.027997     -6.313726      7.546152
  C      -4.753794     -5.551223      8.554364
  C      -4.563378     -4.043653      8.300786
  C      -4.113009     -3.768555      6.865384
  C      -2.795177     -4.463014      6.453674
  C      -1.595622     -3.504670      6.741242
  C      -1.562711     -2.777942      8.100835
  C      -0.197124     -2.071413      8.111175
  C       0.732772     -2.964577      7.246565
  C      -0.168410     -4.085781      6.687299
  C      -2.703988     -5.756314      7.314390
  H       1.876068     -0.273519     -3.129337
  H       0.805111     -1.416616     -3.968322
  H       1.937387     -2.004567     -2.733756
  H      -0.455775     -0.130663     -2.192173
  H       0.673532     -0.713879     -0.965878
  H      -1.114577     -2.503809     -2.716005
  H       0.006948     -3.084873     -1.472816
  H      -2.521663     -0.231020     -1.043235
  H      -3.128164     -1.506582     -2.131166
  H      -4.807384     -0.841201     -0.368710
  H      -4.368791     -2.552756     -0.237917
  H      -3.230256     -0.237495      1.404831
  H      -4.365957     -1.468360      1.981127
  H      -2.383919     -1.979138      3.843358
  H      -1.282319      0.316087      2.186640
  H      -2.362852      0.388990      3.583739
  H       0.225914      1.032658      3.969896
  H      -0.485064     -0.129364      5.112104
  H       1.099030     -0.824231      2.576636
  H       1.510211     -1.319155      4.231355
  H      -0.381104     -2.817869      4.353313
  H       0.027158     -3.019152      2.663775
  H      -0.474628     -2.834560      0.757639
  H      -0.746958     -1.085480      0.761214
  H      -9.629450     -0.988696      8.222329
  H     -10.626460     -0.787027      6.766283
  H     -11.345112     -1.446668      8.252025
  H      -9.927036     -3.496983      8.062252
  H     -10.887141     -3.297042      6.591715
  H      -7.950335     -2.463944      6.936834
  H      -8.935279     -2.156292      5.485077
  H      -9.127028     -5.473581      7.256237
  H      -7.556899     -4.712008      7.602084
  H      -6.370184     -6.261623      6.251412
  H      -7.733924     -7.281675      6.730978
  H      -7.549577     -7.458625      4.296436
  H      -8.947295     -6.456593      4.629345
  H      -7.801274     -5.948599      1.907025
  H     -10.040087     -6.128447      2.663908
  H      -9.812433     -4.809512      3.830519
  H     -10.330369     -4.499148      0.828085
  H     -11.218844     -3.754896      2.173703
  H      -9.194815     -2.433390      2.804476
  H      -9.300058     -2.239496      1.038380
  H      -5.876522     -4.653872      1.562112
  H      -7.785057     -4.078811      0.659133
  H      -6.411703     -3.947833      5.345242
  H      -7.516588     -3.164620      4.198190
  H      -4.514960    -10.160718      9.091779
  H      -2.920531    -10.280905      9.866327
  H      -3.055756    -10.330045      8.095498
  H      -3.714592     -7.893498      9.872876
  H      -2.260888     -8.059928      8.884229
  H      -3.675539     -8.224619      6.814044
  H      -5.137524     -8.047157      7.794303
  H      -4.417226     -5.790097      9.587541
  H      -5.817447     -5.832124      8.492198
  H      -3.836702     -3.634450      9.014143
  H      -5.510939     -3.514947      8.489692
  H      -4.885176     -4.154661      6.188507
  H      -4.025265     -2.683235      6.703559
  H      -1.676311     -2.723250      5.963566
  H      -1.608701     -3.516472      8.918445
  H      -2.397376     -2.077952      8.240705
  H      -0.290431     -1.071313      7.660914
  H       0.185828     -1.926076      9.131053
  H       1.573974     -3.371666      7.825012
  H       1.166919     -2.380324      6.422345
  H      -0.112486     -4.975010      7.336914
  H       0.143759     -4.395183      5.683318
  H      -2.176441     -5.527133      8.267089
  H      -2.095928     -6.520212      6.815897
  N      -4.930815     -2.310447      4.157819
  H      -5.765263     -2.153126      3.548850
  H      -4.302875     -1.511013      4.043529
  H      -5.242269     -2.305244      5.130543
  N      -5.623614     -3.741647      1.974827
  N      -6.682394     -2.964578      2.034752
